iterations/neb0_image07_iter108_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 0.377989394996E+03 0.37799E+03 -0.14287E+04 624 0.799E+02
DAV: 2 0.343140500768E+01 -0.37456E+03 -0.36248E+03 877 0.196E+02
DAV: 3 -0.964469785330E+02 -0.99878E+02 -0.99542E+02 656 0.117E+02
DAV: 4 -0.101043280633E+03 -0.45963E+01 -0.45851E+01 696 0.290E+01
DAV: 5 -0.101135090400E+03 -0.91810E-01 -0.91773E-01 728 0.369E+00 0.229E+01
DAV: 6 -0.924499998217E+02 0.86851E+01 -0.30694E+01 701 0.303E+01 0.120E+01
DAV: 7 -0.915691454542E+02 0.88085E+00 -0.16923E+00 736 0.614E+00 0.482E+00
DAV: 8 -0.911860531405E+02 0.38309E+00 -0.55308E-01 712 0.401E+00 0.163E+00
DAV: 9 -0.911016493625E+02 0.84404E-01 -0.13410E-01 728 0.156E+00 0.425E-01
DAV: 10 -0.910924269497E+02 0.92224E-02 -0.47572E-02 733 0.113E+00 0.310E-01
DAV: 11 -0.910968417410E+02 -0.44148E-02 -0.12304E-02 616 0.583E-01 0.133E-01
DAV: 12 -0.911001387976E+02 -0.32971E-02 -0.35812E-03 616 0.274E-01 0.144E-01
DAV: 13 -0.911039216071E+02 -0.37828E-02 -0.25113E-03 725 0.310E-01 0.535E-02
DAV: 14 -0.911065339358E+02 -0.26123E-02 -0.61068E-04 656 0.114E-01 0.563E-02
DAV: 15 -0.911091861817E+02 -0.26522E-02 -0.32427E-04 637 0.898E-02 0.322E-02
DAV: 16 -0.911101227785E+02 -0.93660E-03 -0.34291E-04 688 0.916E-02 0.282E-02
DAV: 17 -0.911106117944E+02 -0.48902E-03 -0.13586E-04 656 0.749E-02 0.967E-03
DAV: 18 -0.911107893088E+02 -0.17751E-03 -0.24625E-05 544 0.286E-02 0.724E-03
DAV: 19 -0.911108669885E+02 -0.77680E-04 -0.14790E-05 456 0.225E-02 0.202E-03
DAV: 20 -0.911109016618E+02 -0.34673E-04 -0.37836E-06 477 0.983E-03 0.145E-03
DAV: 21 -0.911109191506E+02 -0.17489E-04 -0.19370E-06 421 0.529E-03 0.918E-04
DAV: 22 -0.911109253137E+02 -0.61631E-05 -0.84042E-07 441 0.331E-03
1 F= -.91110925E+02 E0= -.91115741E+02 d E =0.144472E-01