./iterations/neb0_image04_iter216_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 0.365897767632E+03 0.36590E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.104815822684E+01 -0.36485E+03 -0.35324E+03 869 0.194E+02
DAV: 3 -0.959945521551E+02 -0.97043E+02 -0.96743E+02 656 0.116E+02
DAV: 4 -0.100320372771E+03 -0.43258E+01 -0.43170E+01 720 0.282E+01
DAV: 5 -0.100404040961E+03 -0.83668E-01 -0.83642E-01 736 0.353E+00 0.224E+01
DAV: 6 -0.916756710614E+02 0.87284E+01 -0.31118E+01 693 0.298E+01 0.117E+01
DAV: 7 -0.908080642449E+02 0.86761E+00 -0.17937E+00 704 0.643E+00 0.484E+00
DAV: 8 -0.903951013953E+02 0.41296E+00 -0.55536E-01 704 0.445E+00 0.173E+00
DAV: 9 -0.903036156357E+02 0.91486E-01 -0.13960E-01 720 0.203E+00 0.535E-01
DAV: 10 -0.902906534524E+02 0.12962E-01 -0.36933E-02 704 0.989E-01 0.350E-01
DAV: 11 -0.902925049205E+02 -0.18515E-02 -0.10545E-02 720 0.609E-01 0.249E-01
DAV: 12 -0.902946329483E+02 -0.21280E-02 -0.32975E-03 725 0.542E-01 0.130E-01
DAV: 13 -0.902981129437E+02 -0.34800E-02 -0.25732E-03 623 0.318E-01 0.963E-02
DAV: 14 -0.903025487373E+02 -0.44358E-02 -0.19181E-03 631 0.234E-01 0.499E-02
DAV: 15 -0.903044817590E+02 -0.19330E-02 -0.35724E-04 672 0.945E-02 0.444E-02
DAV: 16 -0.903070306944E+02 -0.25489E-02 -0.70183E-04 786 0.178E-01 0.336E-02
DAV: 17 -0.903078364606E+02 -0.80577E-03 -0.12241E-04 672 0.639E-02 0.308E-02
DAV: 18 -0.903084494757E+02 -0.61302E-03 -0.15052E-04 711 0.693E-02 0.164E-02
DAV: 19 -0.903087134556E+02 -0.26398E-03 -0.42605E-05 672 0.426E-02 0.682E-03
DAV: 20 -0.903088763098E+02 -0.16285E-03 -0.17759E-05 471 0.206E-02 0.517E-03
DAV: 21 -0.903089641810E+02 -0.87871E-04 -0.98089E-06 444 0.122E-02 0.395E-03
DAV: 22 -0.903089995506E+02 -0.35370E-04 -0.68083E-06 453 0.133E-02 0.154E-03
DAV: 23 -0.903090060655E+02 -0.65149E-05 -0.19771E-06 466 0.706E-03
1 F= -.90309006E+02 E0= -.90317440E+02 d E =0.253019E-01