./iterations/neb0_image04_iter282_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 0.365835020378E+03 0.36584E+03 -0.14307E+04 624 0.799E+02
DAV: 2 0.186223817483E+00 -0.36565E+03 -0.35466E+03 863 0.195E+02
DAV: 3 -0.960814624979E+02 -0.96268E+02 -0.95976E+02 656 0.116E+02
DAV: 4 -0.100379395967E+03 -0.42979E+01 -0.42895E+01 712 0.279E+01
DAV: 5 -0.100463847396E+03 -0.84451E-01 -0.84424E-01 728 0.349E+00 0.224E+01
DAV: 6 -0.916915889679E+02 0.87723E+01 -0.31562E+01 669 0.301E+01 0.117E+01
DAV: 7 -0.908423745888E+02 0.84921E+00 -0.18347E+00 720 0.662E+00 0.486E+00
DAV: 8 -0.904302143338E+02 0.41216E+00 -0.53678E-01 696 0.451E+00 0.180E+00
DAV: 9 -0.903381885468E+02 0.92026E-01 -0.16829E-01 712 0.207E+00 0.561E-01
DAV: 10 -0.903250946203E+02 0.13094E-01 -0.33812E-02 720 0.100E+00 0.343E-01
DAV: 11 -0.903268023451E+02 -0.17077E-02 -0.13060E-02 656 0.595E-01 0.211E-01
DAV: 12 -0.903302344332E+02 -0.34321E-02 -0.44936E-03 645 0.423E-01 0.114E-01
DAV: 13 -0.903331528955E+02 -0.29185E-02 -0.11597E-03 656 0.214E-01 0.996E-02
DAV: 14 -0.903367238463E+02 -0.35710E-02 -0.18492E-03 751 0.282E-01 0.629E-02
DAV: 15 -0.903386229995E+02 -0.18992E-02 -0.35999E-04 680 0.125E-01 0.439E-02
DAV: 16 -0.903411190822E+02 -0.24961E-02 -0.75218E-04 697 0.179E-01 0.336E-02
DAV: 17 -0.903419659726E+02 -0.84689E-03 -0.13664E-04 680 0.747E-02 0.239E-02
DAV: 18 -0.903426248478E+02 -0.65888E-03 -0.18305E-04 699 0.792E-02 0.118E-02
DAV: 19 -0.903430081562E+02 -0.38331E-03 -0.58092E-05 660 0.489E-02 0.511E-03
DAV: 20 -0.903430932275E+02 -0.85071E-04 -0.95612E-06 496 0.173E-02 0.349E-03
DAV: 21 -0.903431642420E+02 -0.71015E-04 -0.14225E-05 435 0.223E-02 0.484E-03
DAV: 22 -0.903431788822E+02 -0.14640E-04 -0.24104E-06 488 0.102E-02 0.377E-03
DAV: 23 -0.903431841596E+02 -0.52774E-05 -0.25367E-06 455 0.107E-02
1 F= -.90343184E+02 E0= -.90351400E+02 d E =0.246484E-01