 vasp.5.3.2 13Sep12 (build Mar 19 2013 10:46:17) complex                        
  
 POSCAR found type information on POSCAR  Hf O  Pu
 POSCAR found :  3 types and       5 ions
 LDA part: xc-table for Pade appr. of Perdew
 POSCAR, INCAR and KPOINTS ok, starting setup
 WARNING: small aliasing (wrap around) errors must be expected
 FFT: planning ...
 WAVECAR not read
 WARNING: chargedensity file is incomplete
 entering main loop
       N       E                     dE             d eps       ncg     rms          rms(c)
 LDA+U double counting
  E(e-e)-E(LSDA) =   5.23575940154361     
  E(DC)          =  -2.59791898782979     
  DBLE_LDAU      =   2.63784041371382     
DAV:   1     0.413917886732E+03    0.41392E+03   -0.18092E+04 25096   0.117E+03
DAV:   2     0.341243131841E+02   -0.37979E+03   -0.34682E+03 29304   0.335E+02
DAV:   3    -0.159538978543E+02   -0.50078E+02   -0.48969E+02 37216   0.125E+02
DAV:   4    -0.175089615937E+02   -0.15551E+01   -0.15468E+01 34112   0.208E+01
DAV:   5    -0.175910406990E+02   -0.82079E-01   -0.82056E-01 40416   0.368E+00    0.280E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =  -3.94472253357604     
  E(DC)          =   17.3596856509259     
  DBLE_LDAU      =   13.4149631173499     
DAV:   6    -0.126882618449E+02    0.49028E+01   -0.54888E+01 30088   0.385E+01    0.153E+01
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.199772970617973     
  E(DC)          =   11.0033537865129     
  DBLE_LDAU      =   10.8035808158949     
DAV:   7    -0.133569276849E+02   -0.66867E+00   -0.19358E+01 41832   0.397E+01    0.143E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =   2.08615218357563     
  E(DC)          =   6.49803322064776     
  DBLE_LDAU      =   8.58418540422339     
DAV:   8    -0.137807872825E+02   -0.42386E+00   -0.53431E+00 32696   0.109E+01    0.504E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.340761445868208     
  E(DC)          =   11.8162011097808     
  DBLE_LDAU      =   11.4754396639125     
DAV:   9    -0.139956949531E+02   -0.21491E+00   -0.92124E-01 38664   0.523E+00    0.292E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -7.913974109141457E-003
  E(DC)          =   11.8530531098249     
  DBLE_LDAU      =   11.8451391357157     
DAV:  10    -0.140577581487E+02   -0.62063E-01   -0.22572E-01 38448   0.313E+00    0.124E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.235580239646068     
  E(DC)          =   12.5836805906487     
  DBLE_LDAU      =   12.3481003510027     
DAV:  11    -0.140680746556E+02   -0.10317E-01   -0.64385E-02 35832   0.197E+00    0.454E-01
 LDA+U double counting
  E(e-e)-E(LSDA) = -7.380135125466630E-002
  E(DC)          =   12.2882199786446     
  DBLE_LDAU      =   12.2144186273899     
DAV:  12    -0.140693135868E+02   -0.12389E-02   -0.15481E-02 36640   0.948E-01    0.175E-01
 LDA+U double counting
  E(e-e)-E(LSDA) = -6.507677079101511E-002
  E(DC)          =   12.2700185304461     
  DBLE_LDAU      =   12.2049417596550     
DAV:  13    -0.140702819813E+02   -0.96839E-03   -0.37827E-03 39176   0.411E-01    0.881E-02
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.102821902603938     
  E(DC)          =   12.3390654740440     
  DBLE_LDAU      =   12.2362435714401     
DAV:  14    -0.140706734403E+02   -0.39146E-03   -0.70410E-04 38064   0.258E-01    0.694E-02
 LDA+U double counting
  E(e-e)-E(LSDA) = -8.947655162973654E-002
  E(DC)          =   12.3077136172248     
  DBLE_LDAU      =   12.2182370655951     
DAV:  15    -0.140709064884E+02   -0.23305E-03   -0.62913E-04 32080   0.186E-01    0.395E-02
 LDA+U double counting
  E(e-e)-E(LSDA) = -7.633651867172735E-002
  E(DC)          =   12.2796023034921     
  DBLE_LDAU      =   12.2032657848203     
DAV:  16    -0.140709041936E+02    0.22948E-05   -0.19455E-04 28912   0.124E-01
 LDA+U double counting
  E(e-e)-E(LSDA) = -9.023756261191544E-002
  E(DC)          =   12.3119730759210     
  DBLE_LDAU      =   12.2217355133091     
 LDA+U double counting
  E(e-e)-E(LSDA) = -8.769199873916428E-002
  E(DC)          =   12.3024087626911     
  DBLE_LDAU      =   12.2147167639520     
   1 F= -.14070904E+02 E0= -.14079486E+02  d E =-.140709E+02  mag=     5.9977
 curvature:   0.00 expect dE= 0.000E+00 dE for cont linesearch  0.000E+00
 trial: gam= 0.00000 g(F)=  0.516E+03 g(S)=  0.596E+02 ort = 0.000E+00 (trialstep = 0.100E+01)
 search vector abs. value=  0.576E+03
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
 LDA+U double counting
  E(e-e)-E(LSDA) = -8.769199873916428E-002
  E(DC)          =   12.3024087626911     
  DBLE_LDAU      =   12.2147167639520     
DAV:   1     0.208297979382E+03    0.22237E+03   -0.84796E+03 36760   0.360E+02    0.587E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =   4.03209011641067     
  E(DC)          =   8.05102490056836     
  DBLE_LDAU      =   12.0831150169790     
DAV:   2     0.621727645710E+02   -0.14613E+03   -0.26688E+03 41712   0.352E+02    0.543E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =   6.81878287516743     
  E(DC)          = -0.646075338342446     
  DBLE_LDAU      =   6.17270753682499     
DAV:   3     0.170868839191E+03    0.10870E+03   -0.17389E+02 36008   0.844E+01    0.392E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =   4.87316904107918     
  E(DC)          =  -1.11179743692856     
  DBLE_LDAU      =   3.76137160415062     
DAV:   4     0.726646755104E+02   -0.98204E+02   -0.11580E+03 40848   0.697E+01    0.794E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =   5.95852865384811     
  E(DC)          =  -2.49654493962001     
  DBLE_LDAU      =   3.46198371422810     
DAV:   5     0.137849228794E+03    0.65185E+02   -0.11956E+02 31344   0.612E+01    0.728E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =   6.19173013068630     
  E(DC)          = -0.773234407209231     
  DBLE_LDAU      =   5.41849572347706     
DAV:   6     0.201795632343E+03    0.63946E+02   -0.11384E+02 35104   0.482E+01    0.208E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =   3.84714408545770     
  E(DC)          =   4.65536158209574     
  DBLE_LDAU      =   8.50250566755345     
DAV:   7     0.184455734279E+03   -0.17340E+02   -0.92031E+01 40736   0.364E+01    0.366E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =   6.48395873849267     
  E(DC)          =  -2.66742819818655     
  DBLE_LDAU      =   3.81653054030612     
DAV:   8     0.204933536653E+03    0.20478E+02   -0.98233E+01 36104   0.238E+01    0.243E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =   6.26428364878632     
  E(DC)          =  -1.64216052752385     
  DBLE_LDAU      =   4.62212312126248     
DAV:   9     0.199685494946E+03   -0.52480E+01   -0.17004E+01 34000   0.194E+01    0.257E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =   5.56903302830027     
  E(DC)          =  -1.21615413723159     
  DBLE_LDAU      =   4.35287889106867     
DAV:  10     0.204960378352E+03    0.52749E+01   -0.15710E+01 36104   0.102E+01    0.196E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =   4.02476172165007     
  E(DC)          =   1.79919914220233     
  DBLE_LDAU      =   5.82396086385240     
DAV:  11     0.203709612156E+03   -0.12508E+01   -0.29098E+00 38920   0.491E+00    0.187E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =   3.18941324684638     
  E(DC)          =   3.60105307326529     
  DBLE_LDAU      =   6.79046632011167     
DAV:  12     0.202772470745E+03   -0.93714E+00   -0.46466E-01 41008   0.738E+00    0.178E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =   1.96717587912092     
  E(DC)          =   6.14323732214576     
  DBLE_LDAU      =   8.11041320126668     
DAV:  13     0.203112162025E+03    0.33969E+00   -0.81177E-01 39416   0.522E+00    0.144E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.828133536095387     
  E(DC)          =   8.71928534696429     
  DBLE_LDAU      =   9.54741888305968     
DAV:  14     0.202504439927E+03   -0.60772E+00   -0.36424E+00 37416   0.767E+00    0.833E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.573864083033378     
  E(DC)          =   9.22224855350729     
  DBLE_LDAU      =   9.79611263654067     
DAV:  15     0.202418820572E+03   -0.85619E-01   -0.16814E-01 36104   0.284E+00    0.748E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.603399726436540     
  E(DC)          =   9.13385164098371     
  DBLE_LDAU      =   9.73725136742024     
DAV:  16     0.202535747447E+03    0.11693E+00   -0.81445E-02 36352   0.198E+00    0.734E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.788000604053523     
  E(DC)          =   8.73846286009302     
  DBLE_LDAU      =   9.52646346414654     
DAV:  17     0.202417474913E+03   -0.11827E+00   -0.53918E-01 38352   0.310E+00    0.783E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.444252255138673     
  E(DC)          =   9.41919614902598     
  DBLE_LDAU      =   9.86344840416465     
DAV:  18     0.202798603378E+03    0.38113E+00   -0.38822E-01 42264   0.330E+00    0.549E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.488953741898595     
  E(DC)          =   9.39817620887057     
  DBLE_LDAU      =   9.88712995076916     
DAV:  19     0.202757114546E+03   -0.41489E-01   -0.34352E-01 38688   0.456E+00    0.307E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.307011807016035     
  E(DC)          =   9.73139024374026     
  DBLE_LDAU      =   10.0384020507563     
DAV:  20     0.202787445130E+03    0.30331E-01   -0.20628E-01 38576   0.207E+00    0.248E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.153170959191943     
  E(DC)          =   10.0907335836838     
  DBLE_LDAU      =   10.2439045428757     
DAV:  21     0.202853903398E+03    0.66458E-01   -0.11169E-01 34560   0.146E+00    0.198E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.290095322388355     
  E(DC)          =   9.74393598177106     
  DBLE_LDAU      =   10.0340313041594     
DAV:  22     0.202880235063E+03    0.26332E-01   -0.13321E-01 37480   0.163E+00    0.159E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.438197116894016     
  E(DC)          =   9.31619208218668     
  DBLE_LDAU      =   9.75438919908069     
DAV:  23     0.202880789086E+03    0.55402E-03   -0.10372E-01 37672   0.203E+00    0.160E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.319331127714569     
  E(DC)          =   9.53477343678288     
  DBLE_LDAU      =   9.85410456449745     
DAV:  24     0.202728983344E+03   -0.15181E+00   -0.84628E-01 39944   0.142E+00    0.765E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =   1.16630536465673     
  E(DC)          =   7.84396294104347     
  DBLE_LDAU      =   9.01026830570020     
DAV:  25     0.201492353656E+03   -0.12366E+01   -0.17351E+00 29872   0.390E+00    0.843E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =   1.06742590796383     
  E(DC)          =   8.04518876453869     
  DBLE_LDAU      =   9.11261467250252     
DAV:  26     0.201490711840E+03   -0.16418E-02   -0.60423E-02 29912   0.108E+00    0.837E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =   1.05120564405984     
  E(DC)          =   8.07855585108505     
  DBLE_LDAU      =   9.12976149514489     
DAV:  27     0.201477192789E+03   -0.13519E-01   -0.38357E-03 34552   0.313E-01    0.836E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =   1.09829593021333     
  E(DC)          =   7.96987311138491     
  DBLE_LDAU      =   9.06816904159824     
DAV:  28     0.201376419053E+03   -0.10077E+00   -0.39874E-02 36352   0.106E+00    0.821E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =   1.08831142857245     
  E(DC)          =   8.00287922749162     
  DBLE_LDAU      =   9.09119065606407     
DAV:  29     0.201333389820E+03   -0.43029E-01   -0.32775E-02 37880   0.772E-01    0.791E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =   1.00361111771892     
  E(DC)          =   8.18832574288651     
  DBLE_LDAU      =   9.19193686060543     
DAV:  30     0.201360469513E+03    0.27080E-01   -0.34739E-02 38656   0.860E-01    0.802E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =   1.01317026882676     
  E(DC)          =   8.16748927033693     
  DBLE_LDAU      =   9.18065953916370     
DAV:  31     0.201352936833E+03   -0.75327E-02   -0.88894E-03 25920   0.526E-01    0.804E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =   1.02514967894390     
  E(DC)          =   8.14544629763076     
  DBLE_LDAU      =   9.17059597657465     
DAV:  32     0.201388591898E+03    0.35655E-01   -0.21168E-02 26256   0.636E-01    0.799E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =   1.01659250538867     
  E(DC)          =   8.16202386780586     
  DBLE_LDAU      =   9.17861637319453     
DAV:  33     0.201379812863E+03   -0.87790E-02   -0.63291E-03 24896   0.428E-01    0.799E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.998232530319784     
  E(DC)          =   8.23039594421873     
  DBLE_LDAU      =   9.22862847453851     
DAV:  34     0.201466096911E+03    0.86284E-01   -0.28833E-02 34512   0.772E-01    0.780E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.981738009819431     
  E(DC)          =   8.25958050420676     
  DBLE_LDAU      =   9.24131851402619     
DAV:  35     0.201449488507E+03   -0.16608E-01   -0.10441E-02 26184   0.555E-01    0.781E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.983332981854539     
  E(DC)          =   8.26203192902100     
  DBLE_LDAU      =   9.24536491087554     
DAV:  36     0.201451748882E+03    0.22604E-02   -0.70776E-03 28512   0.365E-01    0.776E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.958214414099580     
  E(DC)          =   8.32560351182073     
  DBLE_LDAU      =   9.28381792592031     
DAV:  37     0.201465210862E+03    0.13462E-01   -0.14271E-02 37896   0.467E-01    0.757E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.948371110014845     
  E(DC)          =   8.40147183042607     
  DBLE_LDAU      =   9.34984294044092     
DAV:  38     0.201560092253E+03    0.94881E-01   -0.11132E-01 36248   0.162E+00    0.721E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.911721872028676     
  E(DC)          =   8.56430249060442     
  DBLE_LDAU      =   9.47602436263310     
DAV:  39     0.201663235116E+03    0.10314E+00   -0.12549E-01 41672   0.173E+00    0.684E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.903399386115075     
  E(DC)          =   8.58100279043592     
  DBLE_LDAU      =   9.48440217655100     
DAV:  40     0.201641908668E+03   -0.21326E-01   -0.32687E-02 27744   0.103E+00    0.686E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.885266664823302     
  E(DC)          =   8.61678449367604     
  DBLE_LDAU      =   9.50205115849934     
DAV:  41     0.201632005246E+03   -0.99034E-02   -0.72774E-03 30768   0.436E-01    0.683E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.868916596329590     
  E(DC)          =   8.64136631033962     
  DBLE_LDAU      =   9.51028290666921     
DAV:  42     0.201611450328E+03   -0.20555E-01   -0.42261E-03 34552   0.289E-01    0.691E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.848465500027231     
  E(DC)          =   8.65726815249876     
  DBLE_LDAU      =   9.50573365252599     
DAV:  43     0.201585436771E+03   -0.26014E-01   -0.18705E-02 31472   0.741E-01    0.707E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.851048826544796     
  E(DC)          =   8.65265385344972     
  DBLE_LDAU      =   9.50370267999452     
DAV:  44     0.201576782789E+03   -0.86540E-02   -0.23538E-03 27592   0.251E-01    0.705E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.857045565064995     
  E(DC)          =   8.64610181986546     
  DBLE_LDAU      =   9.50314738493046     
DAV:  45     0.201582220616E+03    0.54378E-02   -0.25461E-03 26960   0.253E-01    0.708E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.861086836191295     
  E(DC)          =   8.64447378357916     
  DBLE_LDAU      =   9.50556061977046     
DAV:  46     0.201572019324E+03   -0.10201E-01   -0.13909E-02 31480   0.384E-01    0.743E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.900901158145138     
  E(DC)          =   8.56960194125037     
  DBLE_LDAU      =   9.47050309939550     
DAV:  47     0.201607106423E+03    0.35087E-01   -0.17322E-02 31768   0.572E-01    0.766E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.901176497934769     
  E(DC)          =   8.56454139782605     
  DBLE_LDAU      =   9.46571789576082     
DAV:  48     0.201646192364E+03    0.39086E-01   -0.11827E-02 31192   0.516E-01    0.772E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.902721533687326     
  E(DC)          =   8.56144784359303     
  DBLE_LDAU      =   9.46416937728036     
DAV:  49     0.201623635967E+03   -0.22556E-01   -0.28528E-03 23304   0.262E-01    0.775E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.896713783822953     
  E(DC)          =   8.55839403142708     
  DBLE_LDAU      =   9.45510781525003     
DAV:  50     0.201618119674E+03   -0.55163E-02   -0.86418E-03 37208   0.453E-01    0.798E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.887451088030709     
  E(DC)          =   8.61056031497100     
  DBLE_LDAU      =   9.49801140300171     
DAV:  51     0.201636506453E+03    0.18387E-01   -0.14933E-02 34136   0.695E-01    0.758E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.774183498554160     
  E(DC)          =   8.95281954935538     
  DBLE_LDAU      =   9.72700304790954     
DAV:  52     0.201747777348E+03    0.11127E+00   -0.16832E-01 35336   0.187E+00    0.675E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.722934129940607     
  E(DC)          =   9.22083968385361     
  DBLE_LDAU      =   9.94377381379421     
DAV:  53     0.201893815375E+03    0.14604E+00   -0.24823E-01 34248   0.313E+00    0.598E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.676553516535399     
  E(DC)          =   9.46664342870629     
  DBLE_LDAU      =   10.1431969452417     
DAV:  54     0.202047046484E+03    0.15323E+00   -0.24901E-01 42432   0.249E+00    0.505E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.671937028243466     
  E(DC)          =   9.49389972480979     
  DBLE_LDAU      =   10.1658367530533     
DAV:  55     0.202037756357E+03   -0.92901E-02   -0.40143E-02 31600   0.982E-01    0.487E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.675840162958789     
  E(DC)          =   9.47520958420366     
  DBLE_LDAU      =   10.1510497471624     
DAV:  56     0.202032173273E+03   -0.55831E-02   -0.45650E-03 35392   0.379E-01    0.492E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.655892770378037     
  E(DC)          =   9.58246711715860     
  DBLE_LDAU      =   10.2383598875366     
DAV:  57     0.202088327779E+03    0.56155E-01   -0.28270E-02 35936   0.103E+00    0.457E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.658567533517222     
  E(DC)          =   9.57635294846573     
  DBLE_LDAU      =   10.2349204819830     
DAV:  58     0.202093688383E+03    0.53606E-02   -0.85812E-03 30592   0.457E-01    0.461E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.658410204743905     
  E(DC)          =   9.57708487032543     
  DBLE_LDAU      =   10.2354950750693     
DAV:  59     0.202092995410E+03   -0.69297E-03   -0.71818E-04 34208   0.103E-01    0.461E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.658142335077348     
  E(DC)          =   9.58599645001146     
  DBLE_LDAU      =   10.2441387850888     
DAV:  60     0.202091425911E+03   -0.15695E-02   -0.29545E-03 27488   0.205E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.134670684402823     
  E(DC)          =   11.6405301400545     
  DBLE_LDAU      =   11.7752008244573     
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.609279871603794     
  E(DC)          =   9.79522128801697     
  DBLE_LDAU      =   10.4045011596208     
   2 F= 0.20209143E+03 E0= 0.20209805E+03  d E =0.216162E+03  mag=     5.4625
 trial-energy change:  216.162330  1 .order 1280.994903 -575.718100 3137.707907
 step:   0.1550(harm=  0.1550)  dis= 0.24293  next Energy=   -58.699682 (dE=-0.446E+02)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.609279871603794     
  E(DC)          =   9.79522128801697     
  DBLE_LDAU      =   10.4045011596208     
DAV:   1    -0.159403616659E+02   -0.21803E+03   -0.82420E+03 31528   0.431E+02    0.500E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =   4.68340940521619     
  E(DC)          =  -1.40885127780581     
  DBLE_LDAU      =   3.27455812741038     
DAV:   2    -0.962320472826E+02   -0.80292E+02   -0.10724E+03 38024   0.155E+02    0.677E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =   6.34658973064608     
  E(DC)          =  -2.31494926457370     
  DBLE_LDAU      =   4.03164046607238     
DAV:   3    -0.618685786205E+02    0.34363E+02   -0.65422E+02 34344   0.922E+01    0.387E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =   6.30446088400108     
  E(DC)          =  -2.93178251891955     
  DBLE_LDAU      =   3.37267836508153     
DAV:   4    -0.397783009119E+02    0.22090E+02   -0.75122E+01 35656   0.366E+01    0.189E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =   5.22806678954634     
  E(DC)          = -0.358629737950607     
  DBLE_LDAU      =   4.86943705159573     
DAV:   5    -0.348326176069E+02    0.49457E+01   -0.22352E+01 41720   0.221E+01    0.136E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =   2.85007665138940     
  E(DC)          =   4.38531466996725     
  DBLE_LDAU      =   7.23539132135665     
DAV:   6    -0.378459557174E+02   -0.30133E+01   -0.24761E+01 43672   0.177E+01    0.774E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  -1.56618109614726     
  E(DC)          =   13.4989767361904     
  DBLE_LDAU      =   11.9327956400431     
DAV:   7    -0.387415615344E+02   -0.89561E+00   -0.34599E+00 41896   0.133E+01    0.513E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =   1.11517259700191     
  E(DC)          =   8.47239663176895     
  DBLE_LDAU      =   9.58756922877086     
DAV:   8    -0.388527453604E+02   -0.11118E+00   -0.22191E+00 44736   0.717E+00    0.513E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  9.897556030250171E-002
  E(DC)          =   10.7487879588732     
  DBLE_LDAU      =   10.8477635191757     
DAV:   9    -0.388372060689E+02    0.15539E-01   -0.17724E+00 42552   0.796E+00    0.363E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.339724313248173     
  E(DC)          =   11.7837941339620     
  DBLE_LDAU      =   11.4440698207138     
DAV:  10    -0.388045847551E+02    0.32621E-01   -0.23149E-01 42072   0.312E+00    0.271E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -2.093924236416218E-002
  E(DC)          =   11.3370045381743     
  DBLE_LDAU      =   11.3160652958101     
DAV:  11    -0.386873458352E+02    0.11724E+00   -0.27143E-01 41672   0.371E+00    0.196E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.197316971280170     
  E(DC)          =   11.8071782097866     
  DBLE_LDAU      =   11.6098612385064     
DAV:  12    -0.386255237178E+02    0.61822E-01   -0.77360E-02 40136   0.234E+00    0.163E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.100358729224197     
  E(DC)          =   11.6750108735329     
  DBLE_LDAU      =   11.5746521443087     
DAV:  13    -0.385919360891E+02    0.33588E-01   -0.28327E-02 47216   0.166E+00    0.136E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -9.490643385663916E-002
  E(DC)          =   11.6692836687487     
  DBLE_LDAU      =   11.5743772348921     
DAV:  14    -0.385939696146E+02   -0.20335E-02   -0.18115E-02 37400   0.492E-01    0.117E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -6.199099681499715E-002
  E(DC)          =   11.6035627201603     
  DBLE_LDAU      =   11.5415717233453     
DAV:  15    -0.385984679022E+02   -0.44983E-02   -0.22303E-02 31760   0.422E-01    0.107E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -3.336500048939989E-002
  E(DC)          =   11.5483098414434     
  DBLE_LDAU      =   11.5149448409540     
DAV:  16    -0.385975636678E+02    0.90423E-03   -0.18362E-03 29296   0.212E-01    0.108E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  9.166137953597830E-002
  E(DC)          =   11.3025386434839     
  DBLE_LDAU      =   11.3942000230199     
DAV:  17    -0.385955830112E+02    0.19807E-02   -0.34861E-03 42072   0.438E-01    0.109E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.117398881696829     
  E(DC)          =   11.2878496708406     
  DBLE_LDAU      =   11.4052485525374     
DAV:  18    -0.385803423772E+02    0.15241E-01   -0.10137E-02 43648   0.914E-01    0.109E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.207296937282586     
  E(DC)          =   11.1918900823786     
  DBLE_LDAU      =   11.3991870196612     
DAV:  19    -0.385492503249E+02    0.31092E-01   -0.33589E-02 42984   0.168E+00    0.108E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.205544148797916     
  E(DC)          =   11.2864335561455     
  DBLE_LDAU      =   11.4919777049435     
DAV:  20    -0.385385918414E+02    0.10658E-01   -0.37239E-02 45728   0.133E+00    0.922E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.283202431199352     
  E(DC)          =   11.2452698510371     
  DBLE_LDAU      =   11.5284722822364     
DAV:  21    -0.385439641737E+02   -0.53723E-02   -0.65885E-02 42232   0.128E+00    0.886E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.304392083071339     
  E(DC)          =   11.2169947783231     
  DBLE_LDAU      =   11.5213868613945     
DAV:  22    -0.385552717782E+02   -0.11308E-01   -0.20099E-02 40504   0.547E-01    0.836E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.324505056653399     
  E(DC)          =   11.1464970229802     
  DBLE_LDAU      =   11.4710020796336     
DAV:  23    -0.385533194108E+02    0.19524E-02   -0.63074E-03 39784   0.548E-01    0.699E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.327380261631783     
  E(DC)          =   11.1364797465890     
  DBLE_LDAU      =   11.4638600082208     
DAV:  24    -0.385531483007E+02    0.17111E-03   -0.14843E-03 37192   0.201E-01    0.643E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.357161427649589     
  E(DC)          =   11.0740748499334     
  DBLE_LDAU      =   11.4312362775830     
DAV:  25    -0.385531575226E+02   -0.92219E-05   -0.29791E-04 28128   0.945E-02
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.395801009116676     
  E(DC)          =   10.8378454758792     
  DBLE_LDAU      =   11.2336464849959     
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.359521508511847     
  E(DC)          =   11.0635750016139     
  DBLE_LDAU      =   11.4230965101258     
   3 F= -.38553158E+02 E0= -.38553273E+02  d E =-.244823E+02  mag=     0.1054
 curvature:  -0.08 expect dE=-0.317E+00 dE for cont linesearch -0.267E-01
 ZBRENT: interpolating
 opt :   0.1513  next Energy=   -38.579196 (dE=-0.245E+02)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.359521508511847     
  E(DC)          =   11.0635750016139     
  DBLE_LDAU      =   11.4230965101258     
DAV:   1    -0.386021834084E+02   -0.49035E-01   -0.32275E-01 25392   0.337E+00    0.678E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.470606172600334     
  E(DC)          =   10.7734192780928     
  DBLE_LDAU      =   11.2440254506931     
DAV:   2    -0.386049681409E+02   -0.27847E-02   -0.19561E-01 37288   0.268E+00    0.848E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.285510701807485     
  E(DC)          =   11.1604798727386     
  DBLE_LDAU      =   11.4459905745461     
DAV:   3    -0.386016985461E+02    0.32696E-02   -0.38872E-02 35536   0.178E+00    0.371E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.271303100996739     
  E(DC)          =   11.1996229184150     
  DBLE_LDAU      =   11.4709260194117     
DAV:   4    -0.386004214344E+02    0.12771E-02   -0.63053E-03 39136   0.432E-01    0.271E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.265247379929032     
  E(DC)          =   11.2335587818833     
  DBLE_LDAU      =   11.4988061618123     
DAV:   5    -0.385995877326E+02    0.83370E-03   -0.88161E-03 42320   0.557E-01    0.973E-02
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.274643175252998     
  E(DC)          =   11.2220435410426     
  DBLE_LDAU      =   11.4966867162956     
DAV:   6    -0.385999848873E+02   -0.39715E-03   -0.21951E-03 35048   0.201E-01    0.107E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.284824172599966     
  E(DC)          =   11.1960283477681     
  DBLE_LDAU      =   11.4808525203680     
DAV:   7    -0.385998229542E+02    0.16193E-03   -0.13774E-03 31824   0.255E-01    0.232E-02
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.286859582126236     
  E(DC)          =   11.1920588352577     
  DBLE_LDAU      =   11.4789184173839     
DAV:   8    -0.385998652431E+02   -0.42289E-04   -0.22984E-04 25088   0.711E-02
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.283279412116678     
  E(DC)          =   11.2012550745572     
  DBLE_LDAU      =   11.4845344866739     
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.280732741397032     
  E(DC)          =   11.2055020037664     
  DBLE_LDAU      =   11.4862347451634     
   4 F= -.38599865E+02 E0= -.38600960E+02  d E =-.245290E+02  mag=     0.0382
 curvature:  -0.08 expect dE=-0.269E+00 dE for cont linesearch -0.249E-01
 ZBRENT: bisectioning
 opt :   0.0757  next Energy=   -39.409624 (dE=-0.253E+02)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.280732741397032     
  E(DC)          =   11.2055020037664     
  DBLE_LDAU      =   11.4862347451634     
DAV:   1    -0.395565524057E+02   -0.95673E+00   -0.13590E+02 25088   0.695E+01    0.505E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =   1.24401413497144     
  E(DC)          =   8.93724708722054     
  DBLE_LDAU      =   10.1812612221920     
DAV:   2    -0.397849767241E+02   -0.22842E+00   -0.11570E+01 32088   0.208E+01    0.310E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.114215382095772     
  E(DC)          =   11.2968084915277     
  DBLE_LDAU      =   11.4110238736235     
DAV:   3    -0.399192386406E+02   -0.13426E+00   -0.88133E-01 35608   0.874E+00    0.163E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.324042372887942     
  E(DC)          =   11.0410956751639     
  DBLE_LDAU      =   11.3651380480518     
DAV:   4    -0.398362247735E+02    0.83014E-01   -0.37825E-01 41488   0.613E+00    0.800E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  9.798792295375144E-002
  E(DC)          =   11.6350254903799     
  DBLE_LDAU      =   11.7330134133337     
DAV:   5    -0.398450252124E+02   -0.88004E-02   -0.17383E-01 41784   0.267E+00    0.998E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.290295323745716     
  E(DC)          =   11.1793621925983     
  DBLE_LDAU      =   11.4696575163440     
DAV:   6    -0.398329783964E+02    0.12047E-01   -0.15700E-01 37272   0.239E+00    0.266E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.294835827474269     
  E(DC)          =   11.1781553981504     
  DBLE_LDAU      =   11.4729912256247     
DAV:   7    -0.398363466470E+02   -0.33683E-02   -0.13399E-02 43688   0.615E-01    0.342E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.227647687900140     
  E(DC)          =   11.3385200795262     
  DBLE_LDAU      =   11.5661677674263     
DAV:   8    -0.398358147463E+02    0.53190E-03   -0.69812E-03 39056   0.597E-01    0.164E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.232274062406100     
  E(DC)          =   11.3595721283387     
  DBLE_LDAU      =   11.5918461907448     
DAV:   9    -0.398360977282E+02   -0.28298E-03   -0.56773E-03 42720   0.423E-01    0.108E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.236013504417508     
  E(DC)          =   11.3518391040716     
  DBLE_LDAU      =   11.5878526084891     
DAV:  10    -0.398362217741E+02   -0.12405E-03   -0.81807E-04 27168   0.153E-01    0.990E-02
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.241604771676407     
  E(DC)          =   11.3341506246559     
  DBLE_LDAU      =   11.5757553963323     
DAV:  11    -0.398361417106E+02    0.80064E-04   -0.45575E-04 28848   0.122E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.251910217445583     
  E(DC)          =   11.2984382428661     
  DBLE_LDAU      =   11.5503484603116     
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.245733640539750     
  E(DC)          =   11.3206237494813     
  DBLE_LDAU      =   11.5663573900211     
   5 F= -.39836142E+02 E0= -.39837182E+02  d E =-.257652E+02  mag=     0.0445
 curvature:  -2.46 expect dE=-0.804E+01 dE for cont linesearch -0.163E+01
 ZBRENT: bisectioning
 opt :   0.0378  next Energy=   -40.628890 (dE=-0.266E+02)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.245733640539750     
  E(DC)          =   11.3206237494813     
  DBLE_LDAU      =   11.5663573900211     
DAV:   1    -0.405286905849E+02   -0.69247E+00   -0.36392E+01 25088   0.353E+01    0.240E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.713864797377348     
  E(DC)          =   10.2431886055356     
  DBLE_LDAU      =   10.9570534029130     
DAV:   2    -0.405632672046E+02   -0.34577E-01   -0.23326E+00 34768   0.978E+00    0.122E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.166295283648887     
  E(DC)          =   11.3646682236586     
  DBLE_LDAU      =   11.5309635073075     
DAV:   3    -0.405834465795E+02   -0.20179E-01   -0.15692E-01 37096   0.327E+00    0.819E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.265709344563066     
  E(DC)          =   11.2540706474438     
  DBLE_LDAU      =   11.5197799920069     
DAV:   4    -0.405707890314E+02    0.12658E-01   -0.10758E-01 41128   0.299E+00    0.448E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.186348290275989     
  E(DC)          =   11.4526887631006     
  DBLE_LDAU      =   11.6390370533766     
DAV:   5    -0.405709048386E+02   -0.11581E-03   -0.20266E-02 36648   0.950E-01    0.377E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.257602693743744     
  E(DC)          =   11.2940361223770     
  DBLE_LDAU      =   11.5516388161207     
DAV:   6    -0.405697072705E+02    0.11976E-02   -0.13912E-02 43624   0.709E-01    0.160E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.264281053376830     
  E(DC)          =   11.2696603419785     
  DBLE_LDAU      =   11.5339413953554     
DAV:   7    -0.405696574887E+02    0.49782E-04   -0.24911E-03 43592   0.302E-01    0.955E-02
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.237962901597782     
  E(DC)          =   11.3294296382903     
  DBLE_LDAU      =   11.5673925398881     
DAV:   8    -0.405698580210E+02   -0.20053E-03   -0.10104E-03 35208   0.234E-01    0.580E-02
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.237239947273851     
  E(DC)          =   11.3360331156578     
  DBLE_LDAU      =   11.5732730629317     
DAV:   9    -0.405699749412E+02   -0.11692E-03   -0.35722E-04 29632   0.119E-01    0.524E-02
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.246932432963881     
  E(DC)          =   11.3131583969868     
  DBLE_LDAU      =   11.5600908299506     
DAV:  10    -0.405699543796E+02    0.20562E-04   -0.24295E-04 26280   0.119E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.243409171225089     
  E(DC)          =   11.3205156942223     
  DBLE_LDAU      =   11.5639248654474     
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.243053765253374     
  E(DC)          =   11.3203386857625     
  DBLE_LDAU      =   11.5633924510159     
   6 F= -.40569954E+02 E0= -.40569505E+02  d E =-.264991E+02  mag=     0.0780
 curvature:  -1.20 expect dE=-0.330E+01 dE for cont linesearch -0.755E+00
 ZBRENT: bisectioning
 opt :   0.0189  next Energy=   -40.928022 (dE=-0.269E+02)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.243053765253374     
  E(DC)          =   11.3203386857625     
  DBLE_LDAU      =   11.5633924510159     
DAV:   1    -0.408968481930E+02   -0.32687E+00   -0.94940E+00 25152   0.178E+01    0.112E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.438045745162339     
  E(DC)          =   10.8739777768872     
  DBLE_LDAU      =   11.3120235220496     
DAV:   2    -0.409073801284E+02   -0.10532E-01   -0.51658E-01 36168   0.472E+00    0.550E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.206286584777693     
  E(DC)          =   11.3465059980781     
  DBLE_LDAU      =   11.5527925828558     
DAV:   3    -0.409097534431E+02   -0.23733E-02   -0.30438E-02 36256   0.124E+00    0.392E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.228955451396244     
  E(DC)          =   11.3355408138566     
  DBLE_LDAU      =   11.5644962652528     
DAV:   4    -0.409077463728E+02    0.20071E-02   -0.16912E-02 40488   0.109E+00    0.219E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.216747029227777     
  E(DC)          =   11.3938325626969     
  DBLE_LDAU      =   11.6105795919247     
DAV:   5    -0.409078807732E+02   -0.13440E-03   -0.91708E-03 40112   0.572E-01    0.285E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.249639348960506     
  E(DC)          =   11.3139580230033     
  DBLE_LDAU      =   11.5635973719638     
DAV:   6    -0.409070298443E+02    0.85093E-03   -0.71398E-03 39496   0.571E-01    0.119E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.257145223879783     
  E(DC)          =   11.2886385732410     
  DBLE_LDAU      =   11.5457837971208     
DAV:   7    -0.409069090821E+02    0.12076E-03   -0.14152E-03 43824   0.235E-01    0.504E-02
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.242349940884945     
  E(DC)          =   11.3203844801438     
  DBLE_LDAU      =   11.5627344210288     
DAV:   8    -0.409069920989E+02   -0.83017E-04   -0.23540E-04 25104   0.113E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.247898142551261     
  E(DC)          =   11.3024110713868     
  DBLE_LDAU      =   11.5503092139381     
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.243061025707946     
  E(DC)          =   11.3181541524842     
  DBLE_LDAU      =   11.5612151781921     
   7 F= -.40906992E+02 E0= -.40905761E+02  d E =-.268361E+02  mag=     0.0936
 curvature:  -0.57 expect dE=-0.137E+01 dE for cont linesearch -0.270E+00
 ZBRENT: bisectioning
 opt :   0.0095  next Energy=   -41.057520 (dE=-0.270E+02)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.243061025707946     
  E(DC)          =   11.3181541524842     
  DBLE_LDAU      =   11.5612151781921     
DAV:   1    -0.410504325353E+02   -0.14352E+00   -0.24328E+00 25136   0.896E+00    0.575E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.343715288342902     
  E(DC)          =   11.0875225535378     
  DBLE_LDAU      =   11.4312378418807     
DAV:   2    -0.410525225947E+02   -0.20901E-02   -0.13136E-01 36488   0.244E+00    0.285E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.227256301354904     
  E(DC)          =   11.3235043429326     
  DBLE_LDAU      =   11.5507606442875     
DAV:   3    -0.410533920806E+02   -0.86949E-03   -0.80404E-03 36168   0.596E-01    0.218E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.232163134298602     
  E(DC)          =   11.3305102512873     
  DBLE_LDAU      =   11.5626733855859     
DAV:   4    -0.410529787238E+02    0.41336E-03   -0.41710E-03 40008   0.526E-01    0.130E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.212712282660861     
  E(DC)          =   11.3955665672862     
  DBLE_LDAU      =   11.6082788499470     
DAV:   5    -0.410529008318E+02    0.77892E-04   -0.45667E-03 41168   0.446E-01    0.163E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.241276970741729     
  E(DC)          =   11.3320934426464     
  DBLE_LDAU      =   11.5733704133881     
DAV:   6    -0.410526831587E+02    0.21767E-03   -0.22876E-03 34776   0.338E-01    0.661E-02
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.244478657285312     
  E(DC)          =   11.3187406829283     
  DBLE_LDAU      =   11.5632193402136     
DAV:   7    -0.410526357283E+02    0.47430E-04   -0.59480E-04 38168   0.160E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.239307503561445     
  E(DC)          =   11.3287950664746     
  DBLE_LDAU      =   11.5681025700361     
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.237156730295719     
  E(DC)          =   11.3350715589388     
  DBLE_LDAU      =   11.5722282892345     
   8 F= -.41052636E+02 E0= -.41051361E+02  d E =-.269817E+02  mag=     0.0963
 curvature:  -0.32 expect dE=-0.673E+00 dE for cont linesearch -0.113E+00
 ZBRENT: bisectioning
 opt :   0.0047  next Energy=   -41.117655 (dE=-0.270E+02)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.237156730295719     
  E(DC)          =   11.3350715589388     
  DBLE_LDAU      =   11.5722282892345     
DAV:   1    -0.411163400791E+02   -0.63657E-01   -0.61481E-01 25240   0.450E+00    0.272E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.279893257024429     
  E(DC)          =   11.2374618849831     
  DBLE_LDAU      =   11.5173551420076     
DAV:   2    -0.411170752892E+02   -0.73521E-03   -0.31496E-02 36600   0.117E+00    0.138E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.229409507803782     
  E(DC)          =   11.3400985893737     
  DBLE_LDAU      =   11.5695080971775     
DAV:   3    -0.411172365829E+02   -0.16129E-03   -0.18200E-03 36728   0.276E-01    0.107E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.228897846163205     
  E(DC)          =   11.3480467585122     
  DBLE_LDAU      =   11.5769446046754     
DAV:   4    -0.411171635395E+02    0.73043E-04   -0.75279E-04 31576   0.221E-01    0.716E-02
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.216146414063460     
  E(DC)          =   11.3900266759344     
  DBLE_LDAU      =   11.6061730899978     
DAV:   5    -0.411171527825E+02    0.10757E-04   -0.17763E-03 39104   0.284E-01    0.997E-02
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.238116467561429     
  E(DC)          =   11.3409250620263     
  DBLE_LDAU      =   11.5790415295877     
DAV:   6    -0.411170867158E+02    0.66067E-04   -0.77940E-04 30576   0.205E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.239585662614517     
  E(DC)          =   11.3273029302480     
  DBLE_LDAU      =   11.5668885928626     
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.234810828529728     
  E(DC)          =   11.3434747828402     
  DBLE_LDAU      =   11.5782856113700     
   9 F= -.41117087E+02 E0= -.41115736E+02  d E =-.270462E+02  mag=     0.0974
 curvature:  -0.18 expect dE=-0.373E+00 dE for cont linesearch -0.540E-01
 ZBRENT: bisectioning
 opt :   0.0024  next Energy=   -41.147166 (dE=-0.271E+02)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.234810828529728     
  E(DC)          =   11.3434747828402     
  DBLE_LDAU      =   11.5782856113700     
DAV:   1    -0.411466281964E+02   -0.29475E-01   -0.15349E-01 25176   0.223E+00    0.140E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.258433386892502     
  E(DC)          =   11.2893055624366     
  DBLE_LDAU      =   11.5477389493291     
DAV:   2    -0.411467791193E+02   -0.15092E-03   -0.81396E-03 36808   0.593E-01    0.742E-02
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.229783926322678     
  E(DC)          =   11.3477491094177     
  DBLE_LDAU      =   11.5775330357404     
DAV:   3    -0.411468495765E+02   -0.70457E-04   -0.52140E-04 34176   0.151E-01    0.586E-02
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.230170936227556     
  E(DC)          =   11.3511362955174     
  DBLE_LDAU      =   11.5813072317449     
DAV:   4    -0.411468253418E+02    0.24235E-04   -0.22809E-04 26888   0.122E-01    0.389E-02
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.222206036938148     
  E(DC)          =   11.3759745247206     
  DBLE_LDAU      =   11.5981805616588     
DAV:   5    -0.411468270505E+02   -0.17087E-05   -0.53608E-04 31968   0.149E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.234212485708997     
  E(DC)          =   11.3444678342146     
  DBLE_LDAU      =   11.5786803199236     
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.234996944592291     
  E(DC)          =   11.3472175780608     
  DBLE_LDAU      =   11.5822145226531     
  10 F= -.41146827E+02 E0= -.41145561E+02  d E =-.270759E+02  mag=     0.0958
 curvature:  -0.10 expect dE=-0.202E+00 dE for cont linesearch -0.268E-01
 ZBRENT: bisectioning
 opt :   0.0012  next Energy=   -41.161169 (dE=-0.271E+02)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.234996944592291     
  E(DC)          =   11.3472175780608     
  DBLE_LDAU      =   11.5822145226531     
DAV:   1    -0.411609850571E+02   -0.14160E-01   -0.37938E-02 25768   0.109E+00    0.790E-02
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.245452166171472     
  E(DC)          =   11.3215015106212     
  DBLE_LDAU      =   11.5669536767927     
DAV:   2    -0.411609850987E+02   -0.41566E-07   -0.22693E-03 36512   0.328E-01    0.416E-02
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.229480657002819     
  E(DC)          =   11.3540016467705     
  DBLE_LDAU      =   11.5834823037733     
DAV:   3    -0.411610095452E+02   -0.24447E-04   -0.15128E-04 23056   0.896E-02    0.310E-02
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.229840232563294     
  E(DC)          =   11.3562958880932     
  DBLE_LDAU      =   11.5861361206565     
DAV:   4    -0.411610002098E+02    0.93354E-05   -0.13070E-04 27640   0.933E-02    0.151E-02
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.227882501664953     
  E(DC)          =   11.3625233357736     
  DBLE_LDAU      =   11.5904058374386     
DAV:   5    -0.411610017572E+02   -0.15474E-05   -0.42458E-05 20616   0.450E-02
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.231207609926476     
  E(DC)          =   11.3539810395399     
  DBLE_LDAU      =   11.5851886494664     
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.231223202035849     
  E(DC)          =   11.3552097493521     
  DBLE_LDAU      =   11.5864329513880     
  11 F= -.41161002E+02 E0= -.41159759E+02  d E =-.270901E+02  mag=     0.0968
 curvature:  -0.05 expect dE=-0.104E+00 dE for cont linesearch -0.133E-01
 ZBRENT: bisectioning
 opt :   0.0006  next Energy=   -41.167939 (dE=-0.271E+02)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.231223202035849     
  E(DC)          =   11.3552097493521     
  DBLE_LDAU      =   11.5864329513880     
DAV:   1    -0.411679123050E+02   -0.69121E-02   -0.94983E-03 25432   0.547E-01    0.346E-02
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.235987782228164     
  E(DC)          =   11.3438449142083     
  DBLE_LDAU      =   11.5798326964365     
DAV:   2    -0.411679221136E+02   -0.98086E-05   -0.50354E-04 35800   0.149E-01    0.182E-02
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.229359006926546     
  E(DC)          =   11.3573324610430     
  DBLE_LDAU      =   11.5866914679695     
DAV:   3    -0.411679264664E+02   -0.43528E-05   -0.29241E-05 18992   0.383E-02    0.140E-02
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.229397749657564     
  E(DC)          =   11.3582760831638     
  DBLE_LDAU      =   11.5876738328214     
DAV:   4    -0.411679256352E+02    0.83114E-06   -0.18988E-05 17528   0.360E-02    0.878E-03
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.227532589584900     
  E(DC)          =   11.3639367156453     
  DBLE_LDAU      =   11.5914693052302     
DAV:   5    -0.411679257977E+02   -0.16251E-06   -0.24039E-05 21152   0.354E-02
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.230191439176410     
  E(DC)          =   11.3571848558263     
  DBLE_LDAU      =   11.5873762950027     
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.230535620360194     
  E(DC)          =   11.3573293455420     
  DBLE_LDAU      =   11.5878649659022     
  12 F= -.41167926E+02 E0= -.41166692E+02  d E =-.270970E+02  mag=     0.0967
 curvature:  -0.03 expect dE=-0.538E-01 dE for cont linesearch -0.668E-02
 ZBRENT: bisectioning
 opt :   0.0003  next Energy=   -41.171348 (dE=-0.271E+02)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.230535620360194     
  E(DC)          =   11.3573293455420     
  DBLE_LDAU      =   11.5878649659022     
DAV:   1    -0.411713408948E+02   -0.34153E-02   -0.23808E-03 25992   0.276E-01    0.193E-02
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.233099865336985     
  E(DC)          =   11.3509983598442     
  DBLE_LDAU      =   11.5840982251812     
DAV:   2    -0.411713410317E+02   -0.13696E-06   -0.13411E-04 25848   0.837E-02    0.102E-02
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.229409702848054     
  E(DC)          =   11.3584414609182     
  DBLE_LDAU      =   11.5878511637663     
DAV:   3    -0.411713435426E+02   -0.25109E-05   -0.16122E-05 17544   0.297E-02    0.753E-03
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.229095629921324     
  E(DC)          =   11.3598539530099     
  DBLE_LDAU      =   11.5889495829312     
DAV:   4    -0.411713434680E+02    0.74679E-07   -0.92542E-06 15144   0.228E-02    0.390E-03
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.228537876078787     
  E(DC)          =   11.3616198284694     
  DBLE_LDAU      =   11.5901577045481     
DAV:   5    -0.411713438317E+02   -0.36374E-06   -0.56916E-06 15472   0.154E-02
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.229315331739105     
  E(DC)          =   11.3599971215631     
  DBLE_LDAU      =   11.5893124533022     
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.229194740440048     
  E(DC)          =   11.3603684747770     
  DBLE_LDAU      =   11.5895632152170     
  13 F= -.41171344E+02 E0= -.41170123E+02  d E =-.271004E+02  mag=     0.0967
 curvature:  -0.01 expect dE=-0.273E-01 dE for cont linesearch -0.335E-02
 ZBRENT: bisectioning
 opt :   0.0001  next Energy=   -41.173040 (dE=-0.271E+02)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.229194740440048     
  E(DC)          =   11.3603684747770     
  DBLE_LDAU      =   11.5895632152170     
DAV:   1    -0.411730404499E+02   -0.16970E-02   -0.60090E-04 26368   0.138E-01    0.872E-03
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.230684267789316     
  E(DC)          =   11.3569281794272     
  DBLE_LDAU      =   11.5876124472165     
DAV:   2    -0.411730412252E+02   -0.77531E-06   -0.29583E-05 14456   0.396E-02    0.426E-03
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.229099025352194     
  E(DC)          =   11.3600813803417     
  DBLE_LDAU      =   11.5891804056939     
DAV:   3    -0.411730420610E+02   -0.83584E-06   -0.66301E-06 13528   0.197E-02    0.303E-03
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.228945907511389     
  E(DC)          =   11.3607016302546     
  DBLE_LDAU      =   11.5896475377660     
DAV:   4    -0.411730423602E+02   -0.29916E-06   -0.31624E-06 13536   0.120E-02    0.178E-03
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.228736273553384     
  E(DC)          =   11.3614035745892     
  DBLE_LDAU      =   11.5901398481426     
DAV:   5    -0.411730427015E+02   -0.34133E-06   -0.27875E-06 13416   0.955E-03
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.229186759824628     
  E(DC)          =   11.3603979032680     
  DBLE_LDAU      =   11.5895846630927     
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.229082970299752     
  E(DC)          =   11.3606958650878     
  DBLE_LDAU      =   11.5897788353876     
  14 F= -.41173043E+02 E0= -.41171822E+02  d E =-.271021E+02  mag=     0.0967
 curvature:  -0.01 expect dE=-0.138E-01 dE for cont linesearch -0.168E-02
 ZBRENT: bisectioning
 opt :   0.0001  next Energy=   -41.173888 (dE=-0.271E+02)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.229082970299752     
  E(DC)          =   11.3606958650878     
  DBLE_LDAU      =   11.5897788353876     
DAV:   1    -0.411738882473E+02   -0.84589E-03   -0.15029E-04 19688   0.702E-02    0.439E-03
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.229801997583232     
  E(DC)          =   11.3590382489801     
  DBLE_LDAU      =   11.5888402465633     
DAV:   2    -0.411738887568E+02   -0.50946E-06   -0.96375E-06 13408   0.223E-02    0.229E-03
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.229118928719907     
  E(DC)          =   11.3603916926339     
  DBLE_LDAU      =   11.5895106213538     
DAV:   3    -0.411738890777E+02   -0.32089E-06   -0.26366E-06 13256   0.121E-02    0.139E-03
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.228882310056684     
  E(DC)          =   11.3610134711742     
  DBLE_LDAU      =   11.5898957812309     
DAV:   4    -0.411738893400E+02   -0.26235E-06   -0.21205E-06 13320   0.676E-03    0.987E-04
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.228898092210274     
  E(DC)          =   11.3610965505624     
  DBLE_LDAU      =   11.5899946427727     
DAV:   5    -0.411738896095E+02   -0.26954E-06   -0.15027E-06 13288   0.682E-03
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.229136403266550     
  E(DC)          =   11.3605483595640     
  DBLE_LDAU      =   11.5896847628306     
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.229039296811248     
  E(DC)          =   11.3607859796018     
  DBLE_LDAU      =   11.5898252764130     
  15 F= -.41173890E+02 E0= -.41172668E+02  d E =-.271030E+02  mag=     0.0968
 curvature:   0.00 expect dE=-0.693E-02 dE for cont linesearch -0.842E-03
 trial: gam= 0.02310 g(F)=  0.499E+00 g(S)=  0.137E+01 ort =-0.114E+02 (trialstep = 0.800E+00)
 search vector abs. value=  0.165E+01
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.229039296811248     
  E(DC)          =   11.3607859796018     
  DBLE_LDAU      =   11.5898252764130     
DAV:   1    -0.459687819723E+02   -0.47949E+01   -0.71338E+01 31128   0.510E+01    0.169E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =   3.52324636491274     
  E(DC)          =   3.15081648527125     
  DBLE_LDAU      =   6.67406285018399     
DAV:   2    -0.494930124388E+02   -0.35242E+01   -0.14608E+02 41304   0.500E+01    0.407E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =   4.87909076995533     
  E(DC)          =   1.56280265844077     
  DBLE_LDAU      =   6.44189342839610     
DAV:   3    -0.413325503683E+02    0.81605E+01   -0.15168E+02 33424   0.676E+01    0.156E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =   3.23585400801454     
  E(DC)          =   4.57508589974557     
  DBLE_LDAU      =   7.81093990776011     
DAV:   4    -0.422636733108E+02   -0.93112E+00   -0.96275E+00 39376   0.134E+01    0.114E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =   1.77445600737888     
  E(DC)          =   7.51476309274290     
  DBLE_LDAU      =   9.28921910012178     
DAV:   5    -0.442789811940E+02   -0.20153E+01   -0.24231E+00 37728   0.807E+00    0.554E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.255195081011346     
  E(DC)          =   10.4708522051884     
  DBLE_LDAU      =   10.7260472861998     
DAV:   6    -0.444246192582E+02   -0.14564E+00   -0.77489E-01 44064   0.725E+00    0.201E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.763629969169475     
  E(DC)          =   9.38674371263590     
  DBLE_LDAU      =   10.1503736818054     
DAV:   7    -0.445837176368E+02   -0.15910E+00   -0.90088E-01 40976   0.306E+00    0.349E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =   1.20496938913448     
  E(DC)          =   8.53296004379864     
  DBLE_LDAU      =   9.73792943293312     
DAV:   8    -0.448466045106E+02   -0.26289E+00   -0.57297E-01 40208   0.208E+00    0.447E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =   1.55488555421692     
  E(DC)          =   7.84577723760500     
  DBLE_LDAU      =   9.40066279182191     
DAV:   9    -0.449003480555E+02   -0.53744E-01   -0.60571E-02 36536   0.129E+00    0.472E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =   1.79140910008457     
  E(DC)          =   7.30405251132111     
  DBLE_LDAU      =   9.09546161140568     
DAV:  10    -0.449495270902E+02   -0.49179E-01   -0.48223E-02 37544   0.187E+00    0.563E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =   1.81992080948270     
  E(DC)          =   7.22288764360974     
  DBLE_LDAU      =   9.04280845309244     
DAV:  11    -0.449799232761E+02   -0.30396E-01   -0.99941E-03 44584   0.640E-01    0.584E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =   1.81630368817750     
  E(DC)          =   7.24852936820731     
  DBLE_LDAU      =   9.06483305638481     
DAV:  12    -0.449676730269E+02    0.12250E-01   -0.30102E-03 37600   0.315E-01    0.593E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =   1.77299693706244     
  E(DC)          =   7.54637731016710     
  DBLE_LDAU      =   9.31937424722954     
DAV:  13    -0.447872337143E+02    0.18044E+00   -0.12370E-01 38112   0.355E+00    0.498E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =   1.36883761699269     
  E(DC)          =   8.87339780258436     
  DBLE_LDAU      =   10.2422354195770     
DAV:  14    -0.446674086239E+02    0.11983E+00   -0.12969E+00 38216   0.865E+00    0.126E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.886138550405436     
  E(DC)          =   9.56054352557809     
  DBLE_LDAU      =   10.4466820759835     
DAV:  15    -0.447361985028E+02   -0.68790E-01   -0.20849E-01 37016   0.586E+00    0.789E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.997066017668512     
  E(DC)          =   9.22059963642143     
  DBLE_LDAU      =   10.2176656540899     
DAV:  16    -0.447889848487E+02   -0.52786E-01   -0.15082E-01 36856   0.233E+00    0.205E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =   1.05466181408316     
  E(DC)          =   9.24665481923176     
  DBLE_LDAU      =   10.3013166333149     
DAV:  17    -0.447545389590E+02    0.34446E-01   -0.64627E-02 39752   0.305E+00    0.115E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =   1.00252524542745     
  E(DC)          =   9.45559827130263     
  DBLE_LDAU      =   10.4581235167301     
DAV:  18    -0.447502792617E+02    0.42597E-02   -0.12275E-01 41216   0.226E+00    0.471E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.743861759884148     
  E(DC)          =   9.97782623929912     
  DBLE_LDAU      =   10.7216879991833     
DAV:  19    -0.447934729276E+02   -0.43194E-01   -0.64706E-02 39984   0.875E-01    0.157E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.423060136705270     
  E(DC)          =   10.5648540524923     
  DBLE_LDAU      =   10.9879141891976     
DAV:  20    -0.448130245244E+02   -0.19552E-01   -0.46490E-02 42560   0.146E+00    0.228E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.153670996961503     
  E(DC)          =   11.0993461306459     
  DBLE_LDAU      =   11.2530171276074     
DAV:  21    -0.448413600853E+02   -0.28336E-01   -0.65163E-02 40424   0.723E-01    0.339E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.254859572027979     
  E(DC)          =   11.9166600764036     
  DBLE_LDAU      =   11.6618005043757     
DAV:  22    -0.448936090623E+02   -0.52249E-01   -0.11588E-01 32808   0.716E-01    0.481E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.781553430863389     
  E(DC)          =   12.9634851044182     
  DBLE_LDAU      =   12.1819316735548     
DAV:  23    -0.449279268545E+02   -0.34318E-01   -0.34733E-02 36048   0.811E-01    0.485E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.853967224037664     
  E(DC)          =   13.1137358679423     
  DBLE_LDAU      =   12.2597686439047     
DAV:  24    -0.449408449348E+02   -0.12918E-01   -0.30441E-03 33344   0.407E-01    0.488E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.869281171914738     
  E(DC)          =   13.1463148235227     
  DBLE_LDAU      =   12.2770336516079     
DAV:  25    -0.449438163541E+02   -0.29714E-02   -0.45150E-04 26432   0.165E-01    0.490E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.874682060136843     
  E(DC)          =   13.1589276231993     
  DBLE_LDAU      =   12.2842455630624     
DAV:  26    -0.449463099571E+02   -0.24936E-02   -0.14155E-04 25360   0.934E-02    0.491E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.858374474216389     
  E(DC)          =   13.0918780380778     
  DBLE_LDAU      =   12.2335035638614     
DAV:  27    -0.449124831270E+02    0.33827E-01   -0.29706E-03 40400   0.587E-01    0.479E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.849174436790134     
  E(DC)          =   13.0306043070517     
  DBLE_LDAU      =   12.1814298702616     
DAV:  28    -0.448679042280E+02    0.44579E-01   -0.55994E-03 41120   0.735E-01    0.466E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.847924992370670     
  E(DC)          =   13.0109483264924     
  DBLE_LDAU      =   12.1630233341217     
DAV:  29    -0.448522955331E+02    0.15609E-01   -0.18447E-03 44800   0.295E-01    0.460E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.846708677903767     
  E(DC)          =   12.9012176862056     
  DBLE_LDAU      =   12.0545090083018     
DAV:  30    -0.447496545434E+02    0.10264E+00   -0.23695E-02 40688   0.167E+00    0.438E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.836348767689418     
  E(DC)          =   12.7676698333741     
  DBLE_LDAU      =   11.9313210656847     
DAV:  31    -0.446500779637E+02    0.99577E-01   -0.50898E-02 41104   0.181E+00    0.357E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.621233477739822     
  E(DC)          =   12.2352018579258     
  DBLE_LDAU      =   11.6139683801860     
DAV:  32    -0.446025029464E+02    0.47575E-01   -0.19534E-01 39432   0.167E+00    0.188E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -2.022664039701468E-004
  E(DC)          =   10.9924649233481     
  DBLE_LDAU      =   10.9922626569441     
DAV:  33    -0.447008758979E+02   -0.98373E-01   -0.26465E-01 39816   0.946E-01    0.175E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.599183591379866     
  E(DC)          =   9.87712164574552     
  DBLE_LDAU      =   10.4763052371254     
DAV:  34    -0.447843647655E+02   -0.83489E-01   -0.12596E-01 42648   0.189E+00    0.223E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.902017634701601     
  E(DC)          =   9.42459659209483     
  DBLE_LDAU      =   10.3266142267964     
DAV:  35    -0.447751963385E+02    0.91684E-02   -0.62157E-02 41568   0.277E+00    0.160E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.937462361924533     
  E(DC)          =   9.39654256192825     
  DBLE_LDAU      =   10.3340049238528     
DAV:  36    -0.447749994806E+02    0.19686E-03   -0.19717E-02 42688   0.828E-01    0.130E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.917612585683765     
  E(DC)          =   9.48681017079247     
  DBLE_LDAU      =   10.4044227564762     
DAV:  37    -0.447721701692E+02    0.28293E-02   -0.14831E-02 40864   0.865E-01    0.824E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.836916418224606     
  E(DC)          =   9.65610281011407     
  DBLE_LDAU      =   10.4930192283387     
DAV:  38    -0.447779285790E+02   -0.57584E-02   -0.87478E-03 41456   0.314E-01    0.645E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.742391543227623     
  E(DC)          =   9.84339895296790     
  DBLE_LDAU      =   10.5857904961955     
DAV:  39    -0.447825396550E+02   -0.46111E-02   -0.55015E-03 29616   0.258E-01    0.695E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.648179337500666     
  E(DC)          =   10.0223238508460     
  DBLE_LDAU      =   10.6705031883466     
DAV:  40    -0.447850150520E+02   -0.24754E-02   -0.37108E-03 32328   0.316E-01    0.847E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.565611923620922     
  E(DC)          =   10.1740676402520     
  DBLE_LDAU      =   10.7396795638729     
DAV:  41    -0.447848406014E+02    0.17445E-03   -0.23890E-03 39736   0.340E-01    0.982E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.506203295293875     
  E(DC)          =   10.2771716040387     
  DBLE_LDAU      =   10.7833748993325     
DAV:  42    -0.447823501339E+02    0.24905E-02   -0.11824E-03 40888   0.338E-01    0.104E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.456512545776492     
  E(DC)          =   10.4952331925869     
  DBLE_LDAU      =   10.9517457383634     
DAV:  43    -0.448321606591E+02   -0.49811E-01   -0.11246E-01 40488   0.222E+00    0.241E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  7.070645122910285E-002
  E(DC)          =   11.2568947091974     
  DBLE_LDAU      =   11.3276011604265     
DAV:  44    -0.448839706181E+02   -0.51810E-01   -0.14297E-01 38704   0.727E-01    0.410E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.519369871566866     
  E(DC)          =   12.4525598850962     
  DBLE_LDAU      =   11.9331900135294     
DAV:  45    -0.449762454296E+02   -0.92275E-01   -0.15860E-01 37088   0.825E-01    0.484E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.815852206063706     
  E(DC)          =   13.0547251902671     
  DBLE_LDAU      =   12.2388729842034     
DAV:  46    -0.449968255434E+02   -0.20580E-01   -0.42561E-03 39968   0.475E-01    0.487E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.825271214705734     
  E(DC)          =   13.0734658955257     
  DBLE_LDAU      =   12.2481946808200     
DAV:  47    -0.449967041233E+02    0.12142E-03   -0.68715E-04 28832   0.231E-01    0.487E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.837872647764560     
  E(DC)          =   13.1081186624343     
  DBLE_LDAU      =   12.2702460146698     
DAV:  48    -0.450070053755E+02   -0.10301E-01   -0.39483E-04 32384   0.198E-01    0.490E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.832857832610020     
  E(DC)          =   13.0261131937768     
  DBLE_LDAU      =   12.1932553611668     
DAV:  49    -0.449269087844E+02    0.80097E-01   -0.11943E-02 40376   0.125E+00    0.471E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.825185727750924     
  E(DC)          =   12.9370985196398     
  DBLE_LDAU      =   12.1119127918889     
DAV:  50    -0.448471187906E+02    0.79790E-01   -0.17311E-02 41240   0.125E+00    0.452E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.826955755465480     
  E(DC)          =   12.9034871724801     
  DBLE_LDAU      =   12.0765314170146     
DAV:  51    -0.448089685870E+02    0.38150E-01   -0.70152E-03 45192   0.635E-01    0.442E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.839304711332292     
  E(DC)          =   13.0441769720715     
  DBLE_LDAU      =   12.2048722607392     
DAV:  52    -0.449290849163E+02   -0.12012E+00   -0.31757E-02 40216   0.191E+00    0.467E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.831364815494833     
  E(DC)          =   13.0597542876709     
  DBLE_LDAU      =   12.2283894721761     
DAV:  53    -0.449613758031E+02   -0.32291E-01   -0.76104E-03 43456   0.570E-01    0.479E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.850697584532014     
  E(DC)          =   13.1606479907302     
  DBLE_LDAU      =   12.3099504061982     
DAV:  54    -0.450264917897E+02   -0.65116E-01   -0.83742E-03 40976   0.981E-01    0.497E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.864832823371734     
  E(DC)          =   13.2102376724882     
  DBLE_LDAU      =   12.3454048491164     
DAV:  55    -0.450463527488E+02   -0.19861E-01   -0.31542E-03 45176   0.343E-01    0.505E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.871506398638560     
  E(DC)          =   13.2293351667471     
  DBLE_LDAU      =   12.3578287681085     
DAV:  56    -0.450516634970E+02   -0.53107E-02   -0.23789E-04 29648   0.116E-01    0.506E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.876064822554109     
  E(DC)          =   13.2552863394806     
  DBLE_LDAU      =   12.3792215169265     
DAV:  57    -0.450740484460E+02   -0.22385E-01   -0.94919E-04 35496   0.321E-01    0.512E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.881231175734587     
  E(DC)          =   13.2710854532231     
  DBLE_LDAU      =   12.3898542774885     
DAV:  58    -0.450811322120E+02   -0.70838E-02   -0.31771E-04 34488   0.121E-01    0.515E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.878451213214476     
  E(DC)          =   13.2480499239488     
  DBLE_LDAU      =   12.3695987107344     
DAV:  59    -0.450605033998E+02    0.20629E-01   -0.76422E-04 36296   0.321E-01    0.510E+00
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.875755559840401     
  E(DC)          =   13.2395340746392     
  DBLE_LDAU      =   12.3637785147987     
DAV:  60    -0.450566574616E+02    0.38459E-02   -0.13816E-04 24528   0.710E-02
 LDA+U double counting
  E(e-e)-E(LSDA) = -6.549539833911311E-002
  E(DC)          =   10.2798093219089     
  DBLE_LDAU      =   10.2143139235698     
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.875571487657551     
  E(DC)          =   13.2392923107523     
  DBLE_LDAU      =   12.3637208230947     
  16 F= -.45056657E+02 E0= -.45056772E+02  d E =-.388277E+01  mag=     5.9153
 ZBRENT: can't locate minimum, use default step
 trial-energy change:   -3.882768  1 .order   -2.134281   -1.282577   -2.985985
 step:   3.2001(harm=  3.2001)  dis= 0.10367  next Energy=   -59.931461 (dE=-0.188E+02)
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
 LDA+U double counting
  E(e-e)-E(LSDA) = -0.875571487657551     
  E(DC)          =   13.2392923107523     
  DBLE_LDAU      =   12.3637208230947     
DAV:   1    -0.800690899916E+02   -0.35009E+02   -0.55890E+02 31064   0.166E+02    0.539E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =   4.08998760375378     
  E(DC)          = -0.950665587504175     
  DBLE_LDAU      =   3.13932201624961     
DAV:   2    -0.110904555536E+03   -0.30835E+02   -0.81511E+02 38688   0.908E+01    0.675E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =   6.09037172130199     
  E(DC)          =  -2.27034527299988     
  DBLE_LDAU      =   3.82002644830211     
DAV:   3    -0.493122074332E+02    0.61592E+02   -0.45536E+02 31344   0.100E+02    0.323E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =   5.93617709253680     
  E(DC)          =  -2.99385588795334     
  DBLE_LDAU      =   2.94232120458345     
DAV:   4    -0.419909274276E+02    0.73213E+01   -0.57066E+01 39736   0.313E+01    0.291E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =   3.45114689986806     
  E(DC)          =   2.78356858902768     
  DBLE_LDAU      =   6.23471548889574     
DAV:   5    -0.471650603072E+02   -0.51741E+01   -0.88844E+00 33016   0.165E+01    0.116E+01
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.476255036968744     
  E(DC)          =   9.81207141808999     
  DBLE_LDAU      =   10.2883264550587     
DAV:   6    -0.485045037202E+02   -0.13394E+01   -0.58698E+00 37320   0.148E+01    0.303E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  -1.08654135150765     
  E(DC)          =   13.5074600906873     
  DBLE_LDAU      =   12.4209187391796     
DAV:   7    -0.486656984799E+02   -0.16119E+00   -0.10446E+00 43440   0.681E+00    0.240E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.663596440207570     
  E(DC)          =   10.0840820547659     
  DBLE_LDAU      =   10.7476784949735     
DAV:   8    -0.487523393774E+02   -0.86641E-01   -0.35781E-01 41672   0.389E+00    0.246E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.485349030818124     
  E(DC)          =   10.5496810592383     
  DBLE_LDAU      =   11.0350300900565     
DAV:   9    -0.487733337749E+02   -0.20994E-01   -0.41790E-02 41288   0.130E+00    0.224E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.442639183907494     
  E(DC)          =   10.7201711583741     
  DBLE_LDAU      =   11.1628103422816     
DAV:  10    -0.487685298711E+02    0.48039E-02   -0.26750E-02 39328   0.127E+00    0.167E+00
 LDA+U double counting
  E(e-e)-E(LSDA) =  0.281145610174739     
  E(DC)          =   11.1896719669469     
  DBLE_LDAU      =   11.4708175771216     
DAV:  11    -0.487791394394E+02   -0.10610E-01   -0.44868E-02 34120   0.146E+00    0.712E-01
 LDA+U double counting
  E(e-e)-E(LSDA) = -1.117758554444739E-002
  E(DC)          =   11.8776488677561     
  DBLE_LDAU      =   11.8664712822116     
DAV:  12    -0.487720986773E+02    0.70408E-02   -0.17010E-02 37880   0.126E+00    0.548E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  4.319775678588587E-002
  E(DC)          =   11.7786122073418     
  DBLE_LDAU      =   11.8218099641277     
DAV:  13    -0.487723985258E+02   -0.29985E-03   -0.58120E-03 36824   0.781E-01    0.387E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  6.104512897755832E-002
  E(DC)          =   11.7731770507540     
  DBLE_LDAU      =   11.8342221797316     
DAV:  14    -0.487668495510E+02    0.55490E-02    0.14982E-04 39944   0.809E-01    0.309E-01
 LDA+U double counting
  E(e-e)-E(LSDA) =  7.861070444502768E-002
  E(DC)          =   11.7793564231875     
  DBLE_LDAU      =   11.8579671276326     
