iterations/neb0_image05_iter292_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.367700241629E+03 0.36770E+03 -0.14309E+04 624 0.799E+02
DAV: 2 0.471599460335E+01 -0.36298E+03 -0.34930E+03 840 0.196E+02
DAV: 3 -0.951549483822E+02 -0.99871E+02 -0.99524E+02 640 0.117E+02
DAV: 4 -0.100126732109E+03 -0.49718E+01 -0.49588E+01 704 0.304E+01
DAV: 5 -0.100227936294E+03 -0.10120E+00 -0.10116E+00 733 0.388E+00 0.222E+01
DAV: 6 -0.915822851723E+02 0.86457E+01 -0.31059E+01 688 0.302E+01 0.117E+01
DAV: 7 -0.907581478091E+02 0.82414E+00 -0.17774E+00 720 0.649E+00 0.484E+00
DAV: 8 -0.903757258042E+02 0.38242E+00 -0.52844E-01 720 0.428E+00 0.176E+00
DAV: 9 -0.902867632287E+02 0.88963E-01 -0.14036E-01 720 0.181E+00 0.499E-01
DAV: 10 -0.902777174114E+02 0.90458E-02 -0.23137E-02 765 0.844E-01 0.318E-01
DAV: 11 -0.902787360815E+02 -0.10187E-02 -0.11347E-02 720 0.638E-01 0.192E-01
DAV: 12 -0.902824960763E+02 -0.37600E-02 -0.58890E-03 688 0.473E-01 0.128E-01
DAV: 13 -0.902848869071E+02 -0.23908E-02 -0.15264E-03 656 0.235E-01 0.808E-02
DAV: 14 -0.902892943332E+02 -0.44074E-02 -0.22506E-03 654 0.240E-01 0.569E-02
DAV: 15 -0.902921757174E+02 -0.28814E-02 -0.59946E-04 893 0.166E-01 0.235E-02
DAV: 16 -0.902941927520E+02 -0.20170E-02 -0.38993E-04 688 0.922E-02 0.277E-02
DAV: 17 -0.902948986495E+02 -0.70590E-03 -0.57667E-05 682 0.525E-02 0.157E-02
DAV: 18 -0.902955198217E+02 -0.62117E-03 -0.23051E-04 658 0.857E-02 0.200E-02
DAV: 19 -0.902956047093E+02 -0.84888E-04 -0.33484E-05 616 0.510E-02 0.799E-03
DAV: 20 -0.902956642001E+02 -0.59491E-04 -0.49746E-05 601 0.358E-02 0.742E-03
DAV: 21 -0.902956879559E+02 -0.23756E-04 -0.31643E-06 496 0.156E-02 0.406E-03
DAV: 22 -0.902957039590E+02 -0.16003E-04 -0.89399E-06 406 0.180E-02 0.204E-03
DAV: 23 -0.902957073982E+02 -0.34391E-05 -0.15522E-06 504 0.705E-03
1 F= -.90295707E+02 E0= -.90304072E+02 d E =0.250949E-01