./iterations/neb0_image04_iter291_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 0.364947649553E+03 0.36495E+03 -0.14302E+04 624 0.799E+02
DAV: 2 0.155601778339E+00 -0.36479E+03 -0.35412E+03 869 0.195E+02
DAV: 3 -0.959878666237E+02 -0.96143E+02 -0.95848E+02 656 0.115E+02
DAV: 4 -0.100305393341E+03 -0.43175E+01 -0.43099E+01 720 0.280E+01
DAV: 5 -0.100390606752E+03 -0.85213E-01 -0.85188E-01 728 0.350E+00 0.223E+01
DAV: 6 -0.916641893129E+02 0.87264E+01 -0.31570E+01 672 0.300E+01 0.117E+01
DAV: 7 -0.908347985483E+02 0.82939E+00 -0.18215E+00 720 0.652E+00 0.485E+00
DAV: 8 -0.904278093894E+02 0.40699E+00 -0.53405E-01 704 0.445E+00 0.179E+00
DAV: 9 -0.903343964849E+02 0.93413E-01 -0.16354E-01 704 0.202E+00 0.536E-01
DAV: 10 -0.903227017800E+02 0.11695E-01 -0.34167E-02 720 0.101E+00 0.333E-01
DAV: 11 -0.903244060859E+02 -0.17043E-02 -0.99402E-03 656 0.509E-01 0.193E-01
DAV: 12 -0.903276657615E+02 -0.32597E-02 -0.35237E-03 629 0.392E-01 0.111E-01
DAV: 13 -0.903308484478E+02 -0.31827E-02 -0.11886E-03 642 0.233E-01 0.102E-01
DAV: 14 -0.903340884619E+02 -0.32400E-02 -0.16184E-03 821 0.268E-01 0.568E-02
DAV: 15 -0.903362520084E+02 -0.21635E-02 -0.41282E-04 672 0.116E-01 0.416E-02
DAV: 16 -0.903386539734E+02 -0.24020E-02 -0.67397E-04 713 0.163E-01 0.300E-02
DAV: 17 -0.903395200751E+02 -0.86610E-03 -0.11743E-04 688 0.747E-02 0.195E-02
DAV: 18 -0.903401611013E+02 -0.64103E-03 -0.15657E-04 708 0.659E-02 0.106E-02
DAV: 19 -0.903404754329E+02 -0.31433E-03 -0.37467E-05 569 0.386E-02 0.399E-03
DAV: 20 -0.903405781496E+02 -0.10272E-03 -0.13325E-05 482 0.157E-02 0.294E-03
DAV: 21 -0.903406271522E+02 -0.49003E-04 -0.61454E-06 434 0.127E-02 0.127E-03
DAV: 22 -0.903406443524E+02 -0.17200E-04 -0.41571E-06 460 0.860E-03 0.275E-03
DAV: 23 -0.903406460628E+02 -0.17104E-05 -0.79736E-07 520 0.605E-03
1 F= -.90340646E+02 E0= -.90348936E+02 d E =0.248710E-01