N E dE d eps ncg rms rms(c)
DAV: 1 0.605003739106E+03 0.60500E+03 -0.54181E+04 5120 0.668E+02
DAV: 2 -0.989861269929E+02 -0.70399E+03 -0.69362E+03 7488 0.185E+02
DAV: 3 -0.139269217081E+03 -0.40283E+02 -0.40220E+02 10112 0.402E+01
DAV: 4 -0.139626177348E+03 -0.35696E+00 -0.35694E+00 7168 0.354E+00
DAV: 5 -0.139632313233E+03 -0.61359E-02 -0.61358E-02 8768 0.356E-01 0.311E+01
DAV: 6 -0.127721411634E+03 0.11911E+02 -0.32704E+01 6208 0.113E+01 0.160E+01
DAV: 7 -0.127755125773E+03 -0.33714E-01 -0.26609E+00 8704 0.327E+00 0.874E+00
DAV: 8 -0.127822584311E+03 -0.67459E-01 -0.83752E-01 6016 0.190E+00 0.153E+00
DAV: 9 -0.127769492158E+03 0.53092E-01 -0.29889E-01 7360 0.109E+00 0.485E-01
DAV: 10 -0.127769896300E+03 -0.40414E-03 -0.18624E-02 6976 0.315E-01 0.220E-01
DAV: 11 -0.127771887641E+03 -0.19913E-02 -0.29399E-03 7488 0.144E-01 0.132E-01
DAV: 12 -0.127771817426E+03 0.70215E-04 -0.68077E-04 7680 0.585E-02 0.354E-02
DAV: 13 -0.127771867553E+03 -0.50126E-04 -0.87185E-05 7552 0.201E-02 0.291E-02
DAV: 14 -0.127771865283E+03 0.22698E-05 -0.55193E-05 7552 0.161E-02 0.684E-03
DAV: 15 -0.127771865435E+03 -0.15169E-06 -0.52087E-06 7616 0.532E-03
1 F= -.12777187E+03 E0= -.12777187E+03 d E =-.243609E-23
Linear response reoptimize wavefunctions
DAV: 1 -0.127771865514E+03 -0.79948E-07 -0.17195E-07 7680 0.977E-04
DAV: 2 -0.127771865515E+03 -0.15643E-09 -0.27895E-09 5888 0.118E-04
DAV: 3 -0.127771865515E+03 0.21828E-10 -0.37646E-10 6144 0.374E-05
Linear response G [H, r] |phi>, progress :
Direction: 1
N E dE d eps ncg rms
RMM: 1 -0.650096209919E+03 -0.65010E+03 0.38150E+03 12396 0.131E+02
RMM: 2 -0.598560962804E+03 0.51535E+02 -0.18818E+02 10500 0.285E+01
RMM: 3 -0.606151675684E+03 -0.75907E+01 -0.41204E+01 13076 0.957E+00
RMM: 4 -0.607504668081E+03 -0.13530E+01 -0.10304E+01 13737 0.401E+00
RMM: 5 -0.607796569935E+03 -0.29190E+00 -0.17388E+00 13810 0.162E+00
RMM: 6 -0.607867312609E+03 -0.70743E-01 -0.64261E-01 13922 0.686E-01
RMM: 7 -0.607868516537E+03 -0.12039E-02 -0.15332E-01 13970 0.299E-01
RMM: 8 -0.607871910139E+03 -0.33936E-02 -0.28967E-02 14119 0.141E-01
RMM: 9 -0.607870782902E+03 0.11272E-02 -0.44639E-03 14318 0.729E-02
RMM: 10 -0.607873721811E+03 -0.29389E-02 -0.47320E-02 14556 0.411E-02
RMM: 11 -0.607874003925E+03 -0.28211E-03 -0.37276E-02 14720 0.260E-02
RMM: 12 -0.607874405552E+03 -0.40163E-03 -0.42733E-02 14748 0.186E-02
RMM: 13 -0.607874505382E+03 -0.99830E-04 -0.43818E-02 14803 0.151E-02
RMM: 14 -0.607874207709E+03 0.29767E-03 -0.41825E-02 14795 0.135E-02
RMM: 15 -0.607874187814E+03 0.19895E-04 -0.42142E-02 14741 0.127E-02
RMM: 16 -0.607873920928E+03 0.26689E-03 -0.38846E-02 14723 0.123E-02
Linear response G [H, r] |phi>, progress :
Direction: 2
N E dE d eps ncg rms
RMM: 1 -0.643152667218E+03 -0.64315E+03 0.38664E+03 12305 0.128E+02
RMM: 2 -0.597120410049E+03 0.46032E+02 -0.18282E+02 10344 0.283E+01
RMM: 3 -0.605092864317E+03 -0.79725E+01 -0.41924E+01 12802 0.952E+00
RMM: 4 -0.606451305330E+03 -0.13584E+01 -0.10366E+01 13567 0.395E+00
RMM: 5 -0.606740644485E+03 -0.28934E+00 -0.17892E+00 13749 0.153E+00
RMM: 6 -0.606781474638E+03 -0.40830E-01 -0.42845E-01 13842 0.622E-01
RMM: 7 -0.606784115490E+03 -0.26409E-02 -0.16030E-01 13912 0.267E-01
RMM: 8 -0.606788860504E+03 -0.47450E-02 -0.17560E-01 14093 0.125E-01
RMM: 9 -0.606793267787E+03 -0.44073E-02 -0.17832E-01 14322 0.649E-02
RMM: 10 -0.606788580156E+03 0.46876E-02 -0.11716E-01 14537 0.369E-02
RMM: 11 -0.606791437128E+03 -0.28570E-02 -0.15069E-01 14748 0.238E-02
RMM: 12 -0.606789195500E+03 0.22416E-02 -0.12286E-01 14717 0.174E-02
RMM: 13 -0.606789923309E+03 -0.72781E-03 -0.13369E-01 14745 0.145E-02
RMM: 14 -0.606791472604E+03 -0.15493E-02 -0.14776E-01 14717 0.130E-02
RMM: 15 -0.606789681903E+03 0.17907E-02 -0.13138E-01 14695 0.123E-02
RMM: 16 -0.606789745622E+03 -0.63719E-04 -0.13126E-01 14671 0.120E-02
Linear response G [H, r] |phi>, progress :
Direction: 3
N E dE d eps ncg rms
RMM: 1 -0.651768491920E+03 -0.65177E+03 0.38018E+03 12441 0.132E+02
RMM: 2 -0.597725781164E+03 0.54043E+02 -0.18799E+02 10556 0.287E+01
RMM: 3 -0.605523075795E+03 -0.77973E+01 -0.40544E+01 13060 0.955E+00
RMM: 4 -0.606875122311E+03 -0.13520E+01 -0.10285E+01 13767 0.400E+00
RMM: 5 -0.607169457945E+03 -0.29434E+00 -0.18589E+00 13851 0.162E+00
RMM: 6 -0.607200243070E+03 -0.30785E-01 -0.15513E-01 13951 0.685E-01
RMM: 7 -0.607219926543E+03 -0.19683E-01 0.19476E-02 14006 0.297E-01
RMM: 8 -0.607220908262E+03 -0.98172E-03 0.59248E-02 14139 0.140E-01
RMM: 9 -0.607227757768E+03 -0.68495E-02 -0.10767E-03 14370 0.728E-02
RMM: 10 -0.607229764362E+03 -0.20066E-02 -0.23903E-02 14577 0.414E-02
RMM: 11 -0.607230352062E+03 -0.58770E-03 -0.24542E-02 14750 0.267E-02
RMM: 12 -0.607230335979E+03 0.16082E-04 -0.39371E-02 14769 0.196E-02
RMM: 13 -0.607230316242E+03 0.19738E-04 -0.32002E-02 14784 0.163E-02
RMM: 14 -0.607230295620E+03 0.20621E-04 -0.37617E-02 14757 0.147E-02
RMM: 15 -0.607230158251E+03 0.13737E-03 -0.29593E-02 14706 0.140E-02
RMM: 16 -0.607230184001E+03 -0.25750E-04 -0.31417E-02 14680 0.136E-02
Linear response to external field (no local field effect), progress :
Direction: 1
N E dE d eps ncg rms rms(c)
RMM: 1 -0.118272027482E+02 -0.11827E+02 -0.67855E+01 12402 0.514E+00
RMM: 2 -0.134100034829E+02 -0.15828E+01 -0.75916E-01 11769 0.130E+00
RMM: 3 -0.134660940866E+02 -0.56091E-01 -0.21336E-01 13787 0.473E-01
RMM: 4 -0.134733731699E+02 -0.72791E-02 -0.31316E-02 14105 0.176E-01
RMM: 5 -0.134744755070E+02 -0.11023E-02 -0.54094E-03 14193 0.704E-02
RMM: 6 -0.134746358775E+02 -0.16037E-03 -0.11234E-03 14162 0.306E-02
RMM: 7 -0.134746652910E+02 -0.29414E-04 -0.57066E-04 14076 0.144E-02
RMM: 8 -0.134746713208E+02 -0.60298E-05 -0.26551E-05 13866 0.708E-03
RMM: 9 -0.134746730224E+02 -0.17016E-05 -0.15604E-04 13712 0.365E-03
RMM: 10 -0.134746734437E+02 -0.42138E-06 0.32020E-06 13391 0.193E-03
Linear response to external field (no local field effect), progress :
Direction: 2
N E dE d eps ncg rms rms(c)
RMM: 1 -0.118766082170E+02 -0.11877E+02 -0.68505E+01 12323 0.509E+00
RMM: 2 -0.131872375445E+02 -0.13106E+01 -0.86518E-01 11601 0.127E+00
RMM: 3 -0.132339324999E+02 -0.46695E-01 -0.17002E-01 13408 0.436E-01
RMM: 4 -0.132405400570E+02 -0.66076E-02 -0.26410E-02 13838 0.162E-01
RMM: 5 -0.132414740870E+02 -0.93403E-03 -0.48987E-03 14018 0.657E-02
RMM: 6 -0.132416335756E+02 -0.15949E-03 -0.12480E-03 14012 0.292E-02
RMM: 7 -0.132416655706E+02 -0.31995E-04 -0.69766E-04 13921 0.137E-02
RMM: 8 -0.132416730633E+02 -0.74926E-05 -0.17672E-05 13661 0.681E-03
RMM: 9 -0.132416751638E+02 -0.21005E-05 -0.18103E-04 13333 0.353E-03
RMM: 10 -0.132416757897E+02 -0.62586E-06 0.14225E-05 12929 0.189E-03
RMM: 11 -0.132416759836E+02 -0.19396E-06 -0.55633E-05 12399 0.109E-03
RMM: 12 -0.132416760510E+02 -0.67403E-07 0.76291E-06 11513 0.705E-04
Linear response to external field (no local field effect), progress :
Direction: 3
N E dE d eps ncg rms rms(c)
RMM: 1 -0.114525391902E+02 -0.11453E+02 -0.64820E+01 12383 0.514E+00
RMM: 2 -0.129722008781E+02 -0.15197E+01 -0.77459E-01 11811 0.131E+00
RMM: 3 -0.130246372025E+02 -0.52436E-01 -0.18362E-01 13734 0.466E-01
RMM: 4 -0.130312761346E+02 -0.66389E-02 -0.27865E-02 14112 0.177E-01
RMM: 5 -0.130322723574E+02 -0.99622E-03 -0.47874E-03 14221 0.709E-02
RMM: 6 -0.130324301797E+02 -0.15782E-03 -0.10272E-03 14193 0.313E-02
RMM: 7 -0.130324587008E+02 -0.28521E-04 -0.66080E-04 14119 0.146E-02
RMM: 8 -0.130324652181E+02 -0.65173E-05 -0.53509E-05 13855 0.728E-03
RMM: 9 -0.130324669479E+02 -0.17298E-05 -0.20769E-04 13670 0.375E-03
RMM: 10 -0.130324674393E+02 -0.49142E-06 -0.10545E-05 13347 0.201E-03
RMM: 11 -0.130324675708E+02 -0.13147E-06 -0.62812E-05 12768 0.115E-03
RMM: 12 -0.130324676096E+02 -0.38816E-07 0.11516E-06 11784 0.728E-04
Linear response to external field, progress :
Direction: 1
N E dE d eps ncg rms rms(c)
RMM: 1 -0.118272027482E+02 -0.11827E+02 -0.67855E+01 12402 0.514E+00
RMM: 2 -0.134100034829E+02 -0.15828E+01 -0.75916E-01 11769 0.130E+00 0.603E+00
RMM: 3 -0.125463623295E+02 0.86364E+00 -0.17122E+00 11475 0.184E+00 0.301E+00
RMM: 4 -0.121973552578E+02 0.34901E+00 -0.86443E-01 11651 0.144E+00 0.103E+00
RMM: 5 -0.120887036571E+02 0.10865E+00 -0.65539E-02 11588 0.469E-01 0.229E-01
RMM: 6 -0.120757241670E+02 0.12979E-01 -0.28135E-02 13150 0.188E-01 0.130E-01
RMM: 7 -0.120585299210E+02 0.17194E-01 -0.11014E-02 12641 0.950E-02 0.599E-02
RMM: 8 -0.120572202773E+02 0.13096E-02 -0.76304E-03 13620 0.431E-02 0.135E-02
RMM: 9 -0.120558940712E+02 0.13262E-02 -0.67298E-03 13780 0.202E-02 0.559E-03
RMM: 10 -0.120557443459E+02 0.14973E-03 -0.65480E-03 14217 0.103E-02 0.549E-03
RMM: 11 -0.120557903173E+02 -0.45971E-04 -0.62531E-03 14392 0.581E-03 0.166E-03
RMM: 12 -0.120557657211E+02 0.24596E-04 -0.62586E-03 14405 0.378E-03 0.929E-04
RMM: 13 -0.120557852944E+02 -0.19573E-04 -0.61952E-03 14438 0.283E-03 0.332E-04
RMM: 14 -0.120557868452E+02 -0.15507E-05 -0.62010E-03 14201 0.240E-03 0.253E-04
RMM: 15 -0.120557815543E+02 0.52909E-05 -0.61777E-03 13434 0.221E-03 0.934E-05
RMM: 16 -0.120557828453E+02 -0.12910E-05 -0.61567E-03 12524 0.213E-03 0.544E-05
RMM: 17 -0.120557814967E+02 0.13486E-05 -0.61317E-03 12077 0.210E-03 0.472E-05
RMM: 18 -0.120557815645E+02 -0.67768E-07 -0.61328E-03 11736 0.208E-03 0.258E-05
RMM: 19 -0.120557799322E+02 0.16323E-05 -0.61261E-03 11617 0.208E-03 0.433E-05
RMM: 20 -0.120557804950E+02 -0.56280E-06 -0.61328E-03 11542 0.208E-03 0.261E-05
RMM: 21 -0.120557792681E+02 0.12269E-05 -0.61162E-03 11457 0.208E-03 0.403E-05
RMM: 22 -0.120557796991E+02 -0.43100E-06 -0.61253E-03 11328 0.208E-03 0.285E-05
RMM: 23 -0.120557786456E+02 0.10535E-05 -0.61078E-03 11246 0.208E-03 0.409E-05
RMM: 24 -0.120557793627E+02 -0.71709E-06 -0.61178E-03 11150 0.208E-03 0.299E-05
RMM: 25 -0.120557805626E+02 -0.11999E-05 -0.61233E-03 11066 0.207E-03 0.421E-05
RMM: 26 -0.120557816911E+02 -0.11284E-05 -0.61397E-03 11018 0.207E-03 0.318E-05
RMM: 27 -0.120557806705E+02 0.10206E-05 -0.61252E-03 10916 0.207E-03 0.430E-05
RMM: 28 -0.120557812128E+02 -0.54226E-06 -0.61360E-03 10872 0.207E-03 0.331E-05
RMM: 29 -0.120557803647E+02 0.84801E-06 -0.61225E-03 10793 0.207E-03 0.434E-05
RMM: 30 -0.120557809690E+02 -0.60426E-06 -0.61343E-03 10711 0.207E-03 0.337E-05
RMM: 31 -0.120557801698E+02 0.79921E-06 -0.61215E-03 10673 0.207E-03 0.443E-05
RMM: 32 -0.120557807261E+02 -0.55633E-06 -0.61309E-03 10691 0.207E-03 0.344E-05
RMM: 33 -0.120557800886E+02 0.63757E-06 -0.61217E-03 10699 0.207E-03 0.440E-05
RMM: 34 -0.120557805069E+02 -0.41830E-06 -0.61302E-03 10635 0.207E-03 0.348E-05
RMM: 35 -0.120557799443E+02 0.56256E-06 -0.61211E-03 10610 0.207E-03 0.440E-05
RMM: 36 -0.120557802014E+02 -0.25714E-06 -0.61290E-03 10590 0.207E-03 0.351E-05
RMM: 37 -0.120557797698E+02 0.43161E-06 -0.61209E-03 10508 0.207E-03 0.442E-05
RMM: 38 -0.120557804007E+02 -0.63090E-06 -0.61339E-03 10543 0.207E-03 0.353E-05
RMM: 39 -0.120557795829E+02 0.81780E-06 -0.61218E-03 10538 0.207E-03 0.446E-05
RMM: 40 -0.120557801180E+02 -0.53511E-06 -0.61341E-03 10507 0.207E-03 0.348E-05
RMM: 41 -0.120557795130E+02 0.60506E-06 -0.61258E-03 10452 0.207E-03 0.452E-05
RMM: 42 -0.120557799313E+02 -0.41834E-06 -0.61376E-03 10447 0.207E-03 0.348E-05
RMM: 43 -0.120557792870E+02 0.64436E-06 -0.61283E-03 10446 0.207E-03 0.453E-05
RMM: 44 -0.120557797444E+02 -0.45743E-06 -0.61398E-03 10416 0.207E-03 0.346E-05
RMM: 45 -0.120557792149E+02 0.52944E-06 -0.61312E-03 10412 0.207E-03 0.452E-05
RMM: 46 -0.120557796720E+02 -0.45702E-06 -0.61423E-03 10394 0.207E-03 0.343E-05
RMM: 47 -0.120557791282E+02 0.54371E-06 -0.61320E-03 10373 0.207E-03 0.452E-05
RMM: 48 -0.120557793049E+02 -0.17665E-06 -0.61404E-03 10351 0.207E-03 0.344E-05
RMM: 49 -0.120557789434E+02 0.36151E-06 -0.61320E-03 10333 0.207E-03 0.446E-05
RMM: 50 -0.120557793575E+02 -0.41411E-06 -0.61405E-03 10344 0.207E-03 0.341E-05
RMM: 51 -0.120557789963E+02 0.36120E-06 -0.61312E-03 10349 0.207E-03 0.442E-05
RMM: 52 -0.120557793726E+02 -0.37632E-06 -0.61392E-03 10290 0.207E-03 0.343E-05
RMM: 53 -0.120557790045E+02 0.36810E-06 -0.61296E-03 10306 0.207E-03 0.440E-05
RMM: 54 -0.120557795122E+02 -0.50763E-06 -0.61387E-03 10292 0.207E-03 0.340E-05
RMM: 55 -0.120557791716E+02 0.34060E-06 -0.61308E-03 10291 0.207E-03 0.437E-05
RMM: 56 -0.120557795535E+02 -0.38199E-06 -0.61386E-03 10300 0.207E-03 0.337E-05
RMM: 57 -0.120557795406E+02 0.12932E-07 -0.61328E-03 10293 0.207E-03 0.436E-05
RMM: 58 -0.120557797910E+02 -0.25034E-06 -0.61390E-03 10246 0.207E-03 0.340E-05
RMM: 59 -0.120557795350E+02 0.25597E-06 -0.61318E-03 10248 0.207E-03 0.433E-05
RMM: 60 -0.120557799316E+02 -0.39665E-06 -0.61388E-03 10267 0.207E-03 0.336E-05
Linear response to external field, progress :
Direction: 2
N E dE d eps ncg rms rms(c)
RMM: 1 -0.118766080864E+02 -0.11877E+02 -0.68505E+01 16084 0.509E+00
RMM: 2 -0.131872375264E+02 -0.13106E+01 -0.86518E-01 15311 0.127E+00 0.603E+00
RMM: 3 -0.122836332041E+02 0.90360E+00 -0.16992E+00 14946 0.184E+00 0.302E+00
RMM: 4 -0.119465667343E+02 0.33707E+00 -0.84930E-01 15030 0.143E+00 0.105E+00
RMM: 5 -0.118449189493E+02 0.10165E+00 -0.51854E-02 15081 0.458E-01 0.278E-01
RMM: 6 -0.118253549152E+02 0.19564E-01 -0.14583E-02 16880 0.185E-01 0.142E-01
RMM: 7 -0.118052980072E+02 0.20057E-01 -0.33918E-03 16524 0.934E-02 0.616E-02
RMM: 8 -0.118057860347E+02 -0.48803E-03 -0.11930E-03 17900 0.424E-02 0.148E-02
RMM: 9 -0.118033745893E+02 0.24114E-02 -0.62851E-04 18091 0.211E-02 0.558E-03
RMM: 10 -0.118038589112E+02 -0.48432E-03 0.62701E-04 18698 0.115E-02 0.604E-03
RMM: 11 -0.118036634146E+02 0.19550E-03 -0.37597E-04 18754 0.757E-03 0.123E-03
RMM: 12 -0.118036756620E+02 -0.12247E-04 -0.38790E-04 18864 0.578E-03 0.817E-04
RMM: 13 -0.118036694863E+02 0.61757E-05 -0.38046E-04 18850 0.489E-03 0.241E-04
RMM: 14 -0.118036677870E+02 0.16993E-05 -0.38172E-04 18483 0.449E-03 0.166E-04
RMM: 15 -0.118036709043E+02 -0.31173E-05 -0.38218E-04 17765 0.431E-03 0.929E-05
RMM: 16 -0.118036703279E+02 0.57640E-06 -0.38212E-04 16879 0.422E-03 0.544E-05
RMM: 17 -0.118036719602E+02 -0.16323E-05 -0.37767E-04 16234 0.418E-03 0.459E-05
RMM: 18 -0.118036711449E+02 0.81525E-06 -0.39042E-04 15869 0.417E-03 0.246E-05
RMM: 19 -0.118036725686E+02 -0.14237E-05 -0.38040E-04 15678 0.416E-03 0.347E-05
RMM: 20 -0.118036708475E+02 0.17211E-05 -0.38719E-04 15502 0.416E-03 0.239E-05
RMM: 21 -0.118036714114E+02 -0.56394E-06 -0.36427E-04 15482 0.415E-03 0.357E-05
RMM: 22 -0.118036723929E+02 -0.98145E-06 -0.40095E-04 15310 0.415E-03 0.253E-05
RMM: 23 -0.118036712550E+02 0.11379E-05 -0.36145E-04 15175 0.415E-03 0.372E-05
RMM: 24 -0.118036717972E+02 -0.54213E-06 -0.38854E-04 15217 0.415E-03 0.268E-05
RMM: 25 -0.118036709264E+02 0.87072E-06 -0.36353E-04 15058 0.415E-03 0.395E-05
RMM: 26 -0.118036728482E+02 -0.19217E-05 -0.39859E-04 14950 0.415E-03 0.290E-05
RMM: 27 -0.118036692916E+02 0.35566E-05 -0.35342E-04 14894 0.415E-03 0.408E-05
RMM: 28 -0.118036715136E+02 -0.22220E-05 -0.38117E-04 14875 0.415E-03 0.303E-05
RMM: 29 -0.118036703722E+02 0.11414E-05 -0.37773E-04 14747 0.415E-03 0.418E-05
RMM: 30 -0.118036725310E+02 -0.21588E-05 -0.38741E-04 14638 0.415E-03 0.317E-05
RMM: 31 -0.118036703489E+02 0.21821E-05 -0.37479E-04 14610 0.415E-03 0.435E-05
RMM: 32 -0.118036717905E+02 -0.14416E-05 -0.37856E-04 14652 0.415E-03 0.331E-05
RMM: 33 -0.118036719741E+02 -0.18359E-06 -0.39555E-04 14581 0.415E-03 0.438E-05
RMM: 34 -0.118036717518E+02 0.22233E-06 -0.37399E-04 14498 0.415E-03 0.339E-05
RMM: 35 -0.118036724875E+02 -0.73572E-06 -0.39779E-04 14481 0.415E-03 0.442E-05
RMM: 36 -0.118036699270E+02 0.25605E-05 -0.35334E-04 14489 0.415E-03 0.347E-05
RMM: 37 -0.118036715599E+02 -0.16329E-05 -0.39781E-04 14440 0.415E-03 0.444E-05
RMM: 38 -0.118036716667E+02 -0.10678E-06 -0.37119E-04 14419 0.415E-03 0.359E-05
RMM: 39 -0.118036729024E+02 -0.12358E-05 -0.40709E-04 14390 0.415E-03 0.447E-05
RMM: 40 -0.118036713348E+02 0.15677E-05 -0.37076E-04 14348 0.415E-03 0.360E-05
RMM: 41 -0.118036730593E+02 -0.17245E-05 -0.40534E-04 14331 0.415E-03 0.448E-05
RMM: 42 -0.118036695524E+02 0.35069E-05 -0.35750E-04 14382 0.415E-03 0.369E-05
RMM: 43 -0.118036734455E+02 -0.38931E-05 -0.40319E-04 14338 0.415E-03 0.452E-05
RMM: 44 -0.118036717928E+02 0.16527E-05 -0.38345E-04 14310 0.415E-03 0.367E-05
RMM: 45 -0.118036736039E+02 -0.18110E-05 -0.39959E-04 14275 0.415E-03 0.448E-05
RMM: 46 -0.118036730368E+02 0.56708E-06 -0.39801E-04 14262 0.415E-03 0.369E-05
RMM: 47 -0.118036718869E+02 0.11498E-05 -0.37930E-04 14270 0.415E-03 0.442E-05
RMM: 48 -0.118036719442E+02 -0.57230E-07 -0.39107E-04 14251 0.415E-03 0.371E-05
RMM: 49 -0.118036721779E+02 -0.23374E-06 -0.37779E-04 14244 0.415E-03 0.440E-05
RMM: 50 -0.118036710096E+02 0.11683E-05 -0.38334E-04 14229 0.415E-03 0.366E-05
RMM: 51 -0.118036734523E+02 -0.24427E-05 -0.38805E-04 14185 0.415E-03 0.435E-05
RMM: 52 -0.118036726356E+02 0.81677E-06 -0.40068E-04 14193 0.415E-03 0.374E-05
RMM: 53 -0.118036721417E+02 0.49391E-06 -0.37388E-04 14182 0.415E-03 0.428E-05
RMM: 54 -0.118036719339E+02 0.20776E-06 -0.39014E-04 14206 0.415E-03 0.375E-05
RMM: 55 -0.118036723941E+02 -0.46023E-06 -0.37778E-04 14158 0.415E-03 0.422E-05
RMM: 56 -0.118036719974E+02 0.39677E-06 -0.39250E-04 14145 0.415E-03 0.374E-05
RMM: 57 -0.118036728999E+02 -0.90252E-06 -0.38115E-04 14154 0.415E-03 0.421E-05
RMM: 58 -0.118036729452E+02 -0.45363E-07 -0.39801E-04 14154 0.415E-03 0.372E-05
RMM: 59 -0.118036737947E+02 -0.84945E-06 -0.39654E-04 14151 0.415E-03 0.417E-05
RMM: 60 -0.118036715089E+02 0.22858E-05 -0.37708E-04 14153 0.415E-03 0.371E-05
Linear response to external field, progress :
Direction: 3
N E dE d eps ncg rms rms(c)
RMM: 1 -0.114525391902E+02 -0.11453E+02 -0.64820E+01 12383 0.514E+00
RMM: 2 -0.129722008781E+02 -0.15197E+01 -0.77459E-01 11811 0.131E+00 0.604E+00
RMM: 3 -0.120011273014E+02 0.97107E+00 -0.18052E+00 11451 0.189E+00 0.299E+00
RMM: 4 -0.116698881185E+02 0.33124E+00 -0.80552E-01 11770 0.139E+00 0.111E+00
RMM: 5 -0.115771971693E+02 0.92691E-01 -0.46990E-02 11794 0.449E-01 0.393E-01
RMM: 6 -0.115368439554E+02 0.40353E-01 -0.16177E-02 12723 0.198E-01 0.168E-01
RMM: 7 -0.115240756457E+02 0.12768E-01 -0.38929E-03 12893 0.973E-02 0.676E-02
RMM: 8 -0.115178487600E+02 0.62269E-02 -0.14821E-03 13676 0.449E-02 0.166E-02
RMM: 9 -0.115162602520E+02 0.15885E-02 -0.41993E-04 13991 0.230E-02 0.553E-03
RMM: 10 -0.115161978452E+02 0.62407E-04 0.51862E-04 14397 0.126E-02 0.438E-03
RMM: 11 -0.115162430794E+02 -0.45234E-04 0.15408E-06 14463 0.833E-03 0.182E-03
RMM: 12 -0.115162711556E+02 -0.28076E-04 0.16695E-04 14293 0.656E-03 0.567E-04
RMM: 13 -0.115162966138E+02 -0.25458E-04 0.52364E-05 14497 0.561E-03 0.325E-04
RMM: 14 -0.115162895790E+02 0.70348E-05 0.14296E-04 14235 0.517E-03 0.162E-04
RMM: 15 -0.115162958452E+02 -0.62662E-05 0.30484E-05 13485 0.496E-03 0.117E-04
RMM: 16 -0.115162871948E+02 0.86504E-05 0.15740E-04 12619 0.487E-03 0.406E-05
RMM: 17 -0.115162867572E+02 0.43757E-06 0.15447E-04 12085 0.484E-03 0.535E-05
RMM: 18 -0.115162873517E+02 -0.59446E-06 0.15592E-04 11854 0.483E-03 0.348E-05
RMM: 19 -0.115162896274E+02 -0.22757E-05 0.12971E-04 11694 0.482E-03 0.411E-05
RMM: 20 -0.115162861264E+02 0.35009E-05 0.17105E-04 11635 0.482E-03 0.311E-05
RMM: 21 -0.115162849475E+02 0.11789E-05 0.17828E-04 11494 0.482E-03 0.386E-05
RMM: 22 -0.115162862616E+02 -0.13142E-05 0.17471E-04 11416 0.482E-03 0.307E-05
RMM: 23 -0.115162838892E+02 0.23724E-05 0.19864E-04 11372 0.482E-03 0.385E-05
RMM: 24 -0.115162808354E+02 0.30538E-05 0.22114E-04 11256 0.482E-03 0.328E-05
RMM: 25 -0.115162850822E+02 -0.42468E-05 0.17690E-04 11162 0.482E-03 0.406E-05
RMM: 26 -0.115162820358E+02 0.30464E-05 0.20244E-04 11108 0.482E-03 0.355E-05
RMM: 27 -0.115162848101E+02 -0.27744E-05 0.18250E-04 11052 0.482E-03 0.428E-05
RMM: 28 -0.115162808661E+02 0.39441E-05 0.22274E-04 10924 0.482E-03 0.396E-05
RMM: 29 -0.115162833947E+02 -0.25286E-05 0.19855E-04 10865 0.482E-03 0.465E-05
RMM: 30 -0.115162821905E+02 0.12042E-05 0.20717E-04 10818 0.482E-03 0.432E-05