iterations/neb0_image05_iter2_OSZICAR.out output for 39: 512-->524:: F2 + Si-NH-Si on surface slat V5 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.209939729038E+04 0.20994E+04 -0.11615E+05 1704 0.105E+03
DAV: 2 -0.137700945897E+03 -0.22371E+04 -0.21464E+04 2152 0.262E+02
DAV: 3 -0.462633095458E+03 -0.32493E+03 -0.32032E+03 1856 0.108E+02
DAV: 4 -0.475492235190E+03 -0.12859E+02 -0.12803E+02 1968 0.227E+01
DAV: 5 -0.475987778221E+03 -0.49554E+00 -0.49526E+00 2096 0.388E+00 0.435E+01
DAV: 6 -0.445695999388E+03 0.30292E+02 -0.14962E+02 2072 0.320E+01 0.292E+01
DAV: 7 -0.444668883495E+03 0.10271E+01 -0.51750E+01 1864 0.133E+01 0.156E+01
DAV: 8 -0.443469316422E+03 0.11996E+01 -0.65907E+00 2200 0.114E+01 0.980E+00
DAV: 9 -0.442501591589E+03 0.96772E+00 -0.61135E+00 2024 0.520E+00 0.113E+01
DAV: 10 -0.442634900145E+03 -0.13331E+00 -0.17192E+01 1952 0.257E+00 0.762E+00
DAV: 11 -0.442441690539E+03 0.19321E+00 -0.55859E+00 2136 0.297E+00 0.567E+00
DAV: 12 -0.442528977729E+03 -0.87287E-01 -0.58122E+00 2256 0.290E+00 0.551E+00
DAV: 13 -0.442157095814E+03 0.37188E+00 -0.13245E+00 2112 0.175E+00 0.164E+00
DAV: 14 -0.442174575015E+03 -0.17479E-01 -0.14791E-01 1928 0.634E-01 0.175E+00
DAV: 15 -0.442146499873E+03 0.28075E-01 -0.84675E-02 2040 0.457E-01 0.146E+00
DAV: 16 -0.442127618049E+03 0.18882E-01 -0.10647E-02 1944 0.203E-01 0.159E+00
DAV: 17 -0.442103818830E+03 0.23799E-01 -0.55482E-03 1952 0.117E-01 0.179E+00
DAV: 18 -0.442099810966E+03 0.40079E-02 -0.94918E-04 1912 0.609E-02 0.179E+00
DAV: 19 -0.442147621660E+03 -0.47811E-01 -0.26078E-02 2176 0.434E-01 0.124E+00
DAV: 20 -0.442186104090E+03 -0.38482E-01 -0.27968E-02 2080 0.304E-01 0.150E+00
DAV: 21 -0.442219147605E+03 -0.33044E-01 -0.10851E-02 1952 0.198E-01 0.178E+00
DAV: 22 -0.442270706568E+03 -0.51559E-01 -0.16286E-02 2112 0.235E-01 0.216E+00
DAV: 23 -0.442260606038E+03 0.10101E-01 -0.23090E-03 1848 0.843E-02 0.214E+00
DAV: 24 -0.442239511014E+03 0.21095E-01 -0.30277E-03 2152 0.102E-01 0.197E+00
DAV: 25 -0.442231747411E+03 0.77636E-02 -0.26219E-03 1904 0.123E-01 0.186E+00
DAV: 26 -0.442145780080E+03 0.85967E-01 -0.74394E-02 2344 0.558E-01 0.152E+00
DAV: 27 -0.442128657809E+03 0.17122E-01 -0.16177E-02 1944 0.197E-01 0.163E+00
DAV: 28 -0.442125641679E+03 0.30161E-02 -0.15490E-03 1960 0.886E-02 0.161E+00
DAV: 29 -0.442129643808E+03 -0.40021E-02 -0.96828E-04 1960 0.511E-02 0.156E+00
DAV: 30 -0.442138003591E+03 -0.83598E-02 -0.16288E-03 1896 0.406E-02 0.149E+00
DAV: 31 -0.442131489439E+03 0.65142E-02 -0.43591E-03 2088 0.717E-02 0.152E+00
DAV: 32 -0.442258689571E+03 -0.12720E+00 -0.18060E-01 1992 0.601E-01 0.205E+00
DAV: 33 -0.442276854942E+03 -0.18165E-01 -0.11543E-02 1872 0.160E-01 0.211E+00
DAV: 34 -0.442230889378E+03 0.45966E-01 -0.93884E-03 2072 0.202E-01 0.186E+00
DAV: 35 -0.442125499122E+03 0.10539E+00 -0.12434E-01 2080 0.575E-01 0.149E+00
DAV: 36 -0.442116983160E+03 0.85160E-02 -0.11358E-02 1864 0.159E-01 0.148E+00
DAV: 37 -0.442112689714E+03 0.42934E-02 -0.96555E-04 2136 0.244E-02 0.143E+00
DAV: 38 -0.442152791614E+03 -0.40102E-01 -0.45951E-01 2088 0.175E-01 0.635E+00
DAV: 39 -0.442056515335E+03 0.96276E-01 -0.52918E-01 1872 0.265E-01 0.154E+00
DAV: 40 -0.442265550856E+03 -0.20904E+00 -0.17191E+00 1968 0.291E-01 0.114E+01
DAV: 41 -0.442677766087E+03 -0.41222E+00 -0.12733E+00 1864 0.454E-01 0.168E+01
DAV: 42 -0.442115132883E+03 0.56263E+00 -0.15239E-01 1768 0.264E-01 0.148E+01
DAV: 43 -0.441816864460E+03 0.29827E+00 -0.19913E+00 2040 0.265E-01 0.344E+00
DAV: 44 -0.442049716817E+03 -0.23285E+00 -0.28724E-02 1664 0.363E-01 0.206E+00
DAV: 45 -0.442092150197E+03 -0.42433E-01 -0.99311E-03 1880 0.147E-01 0.158E+00
DAV: 46 -0.442135283702E+03 -0.43134E-01 -0.19085E-01 2064 0.124E-01 0.559E+00
DAV: 47 -0.442196537777E+03 -0.61254E-01 -0.32362E-01 1864 0.204E-01 0.108E+01
DAV: 48 -0.442187192206E+03 0.93456E-02 -0.10943E-01 1776 0.223E-01 0.136E+01
DAV: 49 -0.442017095967E+03 0.17010E+00 -0.62583E-02 1712 0.135E-01 0.113E+01
DAV: 50 -0.441924412720E+03 0.92683E-01 -0.51844E-01 1944 0.162E-01 0.480E+00
DAV: 51 -0.442041538285E+03 -0.11713E+00 -0.13172E-01 1744 0.247E-01 0.162E+00
DAV: 52 -0.442137512970E+03 -0.95975E-01 -0.18316E-01 1808 0.211E-01 0.567E+00
DAV: 53 -0.442186393327E+03 -0.48880E-01 -0.25455E-01 2000 0.190E-01 0.104E+01
DAV: 54 -0.442064869116E+03 0.12152E+00 -0.13083E-02 1664 0.176E-01 0.931E+00
DAV: 55 -0.441996208919E+03 0.68660E-01 -0.19136E-01 2032 0.955E-02 0.540E+00
DAV: 56 -0.442062376940E+03 -0.66168E-01 -0.18871E-02 1664 0.154E-01 0.414E+00
DAV: 57 -0.442169464738E+03 -0.10709E+00 -0.31373E-01 1992 0.129E-01 0.915E+00
DAV: 58 -0.442428155602E+03 -0.25869E+00 -0.10108E+00 2048 0.290E-01 0.166E+01
DAV: 59 -0.442316364716E+03 0.11179E+00 -0.12292E-02 1664 0.294E-01 0.171E+01
DAV: 60 -0.442259509240E+03 0.56855E-01 -0.10719E-03 1928 0.665E-02 0.170E+01
DAV: 61 -0.442976684064E+03 -0.71717E+00 -0.13907E-01 1960 0.297E-01 0.175E+01
DAV: 62 -0.442966158871E+03 0.10525E-01 -0.30463E-03 1816 0.830E-02 0.175E+01
DAV: 63 -0.442960654792E+03 0.55041E-02 -0.12922E-04 1776 0.122E-02 0.175E+01
DAV: 64 -0.442937618347E+03 0.23036E-01 -0.53740E-05 1176 0.900E-03 0.175E+01
DAV: 65 -0.442634745071E+03 0.30287E+00 -0.93596E-03 2048 0.124E-01 0.174E+01
DAV: 66 -0.442665385979E+03 -0.30641E-01 -0.11663E-03 1888 0.706E-02 0.173E+01
DAV: 67 -0.442902314148E+03 -0.23693E+00 -0.75226E-03 2216 0.120E-01 0.174E+01
DAV: 68 -0.443177671322E+03 -0.27536E+00 -0.10288E-02 1952 0.154E-01 0.175E+01
DAV: 69 -0.443158288248E+03 0.19383E-01 -0.90132E-04 1832 0.526E-02 0.175E+01
DAV: 70 -0.443101868978E+03 0.56419E-01 -0.33878E-04 1728 0.234E-02 0.175E+01
DAV: 71 -0.442712529452E+03 0.38934E+00 -0.15828E-02 2112 0.165E-01 0.174E+01
DAV: 72 -0.442779266349E+03 -0.66737E-01 -0.13558E-03 1800 0.554E-02 0.174E+01
DAV: 73 -0.442904051638E+03 -0.12479E+00 -0.18801E-03 2072 0.684E-02 0.174E+01
DAV: 74 -0.443212093196E+03 -0.30804E+00 -0.85347E-03 2128 0.150E-01 0.174E+01
DAV: 75 -0.443137318579E+03 0.74775E-01 -0.18169E-03 1848 0.736E-02 0.173E+01
DAV: 76 -0.441913375887E+03 0.12239E+01 -0.52342E-01 2080 0.885E-01 0.113E+01
DAV: 77 -0.442063608596E+03 -0.15023E+00 -0.58051E-02 1880 0.430E-01 0.120E+01
DAV: 78 -0.442006998559E+03 0.56610E-01 -0.62815E-02 2216 0.143E-01 0.988E+00
DAV: 79 -0.441955194113E+03 0.51804E-01 -0.23454E-01 2048 0.171E-01 0.522E+00
DAV: 80 -0.442036149317E+03 -0.80955E-01 -0.15839E-02 1712 0.174E-01 0.391E+00
DAV: 81 -0.442188782903E+03 -0.15263E+00 -0.44414E-01 2064 0.271E-01 0.103E+01
DAV: 82 -0.442015753007E+03 0.17303E+00 -0.26648E-01 1784 0.227E-01 0.600E+00
DAV: 83 -0.442064112571E+03 -0.48360E-01 -0.33477E-03 1680 0.123E-01 0.629E+00
DAV: 84 -0.442042252663E+03 0.21860E-01 -0.32668E-02 2256 0.117E-01 0.439E+00
DAV: 85 -0.442059350834E+03 -0.17098E-01 -0.11445E-02 1936 0.106E-01 0.314E+00
DAV: 86 -0.442070251220E+03 -0.10900E-01 -0.17479E-02 2032 0.903E-02 0.150E+00
DAV: 87 -0.442092957509E+03 -0.22706E-01 -0.12776E-03 1696 0.727E-02 0.178E+00
DAV: 88 -0.442093415233E+03 -0.45772E-03 -0.27384E-04 1920 0.221E-02 0.192E+00
DAV: 89 -0.442091294689E+03 0.21205E-02 -0.24896E-04 1960 0.255E-02 0.180E+00
DAV: 90 -0.442092353486E+03 -0.10588E-02 -0.10856E-04 2000 0.249E-02 0.187E+00
DAV: 91 -0.442105192433E+03 -0.12839E-01 -0.22684E-02 2000 0.564E-02 0.375E+00
DAV: 92 -0.442085927119E+03 0.19265E-01 -0.80831E-04 1680 0.712E-02 0.396E+00
DAV: 93 -0.442087004411E+03 -0.10773E-02 -0.43531E-03 1848 0.431E-02 0.475E+00
DAV: 94 -0.442086155673E+03 0.84874E-03 -0.54183E-03 1992 0.615E-02 0.558E+00
DAV: 95 -0.442082912032E+03 0.32436E-02 -0.40464E-03 2000 0.648E-02 0.628E+00
DAV: 96 -0.442095364176E+03 -0.12452E-01 -0.19621E-02 2000 0.594E-02 0.768E+00
DAV: 97 -0.442060018666E+03 0.35346E-01 -0.53639E-03 1656 0.522E-02 0.700E+00
DAV: 98 -0.442071260959E+03 -0.11242E-01 -0.94282E-04 1760 0.224E-02 0.729E+00
DAV: 99 -0.442062417869E+03 0.88431E-02 -0.11134E-03 1656 0.212E-02 0.697E+00
DAV: 100 -0.442067315894E+03 -0.48980E-02 -0.48201E-05 1632 0.158E-02 0.699E+00
DAV: 101 -0.442186854255E+03 -0.11954E+00 -0.23345E-01 2256 0.302E-01 0.116E+01
DAV: 102 -0.442071232141E+03 0.11562E+00 -0.17601E-02 1776 0.180E-01 0.102E+01
DAV: 103 -0.442003620501E+03 0.67612E-01 -0.10743E-01 2152 0.135E-01 0.705E+00
DAV: 104 -0.442065297309E+03 -0.61677E-01 -0.30169E-03 1696 0.108E-01 0.735E+00
DAV: 105 -0.442060911063E+03 0.43862E-02 -0.40353E-03 1984 0.419E-02 0.674E+00
DAV: 106 -0.442121301506E+03 -0.60390E-01 -0.66272E-02 2388 0.160E-01 0.917E+00
DAV: 107 -0.442043852578E+03 0.77449E-01 -0.50928E-02 1900 0.132E-01 0.711E+00
DAV: 108 -0.442035257682E+03 0.85949E-02 -0.44972E-02 1952 0.114E-01 0.482E+00
DAV: 109 -0.442055271409E+03 -0.20014E-01 -0.22137E-02 1880 0.114E-01 0.287E+00
DAV: 110 -0.442078908240E+03 -0.23637E-01 -0.17487E-02 1872 0.971E-02 0.112E+00
DAV: 111 -0.442101548788E+03 -0.22641E-01 -0.99866E-04 1688 0.835E-02 0.112E+00
DAV: 112 -0.442104061935E+03 -0.25131E-02 -0.25141E-03 1960 0.446E-02 0.668E-01
DAV: 113 -0.442107214926E+03 -0.31530E-02 -0.57021E-04 1872 0.410E-02 0.426E-01
DAV: 114 -0.442108667572E+03 -0.14526E-02 -0.20732E-04 1912 0.322E-02 0.355E-01
DAV: 115 -0.442108973915E+03 -0.30634E-03 -0.98355E-05 1920 0.227E-02 0.309E-01
DAV: 116 -0.442108819663E+03 0.15425E-03 -0.10998E-03 2064 0.734E-02 0.121E-01
DAV: 117 -0.442109173115E+03 -0.35345E-03 -0.33798E-04 1840 0.366E-02 0.157E-01
DAV: 118 -0.442109177667E+03 -0.45519E-05 -0.31656E-05 1520 0.148E-02
1 F= -.44210918E+03 E0= -.44210135E+03 d E =-.234704E-01