iterations/neb0_image05_iter257_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 0.367875373908E+03 0.36788E+03 -0.14306E+04 624 0.799E+02
DAV: 2 0.378722245781E+01 -0.36409E+03 -0.35016E+03 853 0.195E+02
DAV: 3 -0.955312990814E+02 -0.99319E+02 -0.98977E+02 664 0.116E+02
DAV: 4 -0.100168615883E+03 -0.46373E+01 -0.46273E+01 704 0.291E+01
DAV: 5 -0.100258971501E+03 -0.90356E-01 -0.90313E-01 728 0.364E+00 0.222E+01
DAV: 6 -0.916191912104E+02 0.86398E+01 -0.31037E+01 696 0.300E+01 0.117E+01
DAV: 7 -0.907959557187E+02 0.82324E+00 -0.17727E+00 712 0.623E+00 0.482E+00
DAV: 8 -0.904197008844E+02 0.37625E+00 -0.53700E-01 736 0.426E+00 0.168E+00
DAV: 9 -0.903321177880E+02 0.87583E-01 -0.13104E-01 720 0.168E+00 0.444E-01
DAV: 10 -0.903250252298E+02 0.70926E-02 -0.35711E-02 728 0.114E+00 0.308E-01
DAV: 11 -0.903269598427E+02 -0.19346E-02 -0.51672E-03 608 0.426E-01 0.181E-01
DAV: 12 -0.903304073526E+02 -0.34475E-02 -0.82982E-03 616 0.549E-01 0.141E-01
DAV: 13 -0.903324531899E+02 -0.20458E-02 -0.19345E-03 744 0.320E-01 0.839E-02
DAV: 14 -0.903367239888E+02 -0.42708E-02 -0.18368E-03 619 0.222E-01 0.521E-02
DAV: 15 -0.903391747052E+02 -0.24507E-02 -0.31058E-04 709 0.983E-02 0.459E-02
DAV: 16 -0.903411142902E+02 -0.19396E-02 -0.42758E-04 728 0.134E-01 0.223E-02
DAV: 17 -0.903421342958E+02 -0.10200E-02 -0.15769E-04 674 0.638E-02 0.228E-02
DAV: 18 -0.903426021561E+02 -0.46786E-03 -0.41440E-05 616 0.371E-02 0.138E-02
DAV: 19 -0.903429495979E+02 -0.34744E-03 -0.66193E-05 620 0.405E-02 0.634E-03
DAV: 20 -0.903430412548E+02 -0.91657E-04 -0.68321E-06 488 0.192E-02 0.424E-03
DAV: 21 -0.903430935782E+02 -0.52323E-04 -0.16148E-05 475 0.198E-02 0.466E-03
DAV: 22 -0.903431000552E+02 -0.64770E-05 -0.23358E-06 520 0.131E-02
1 F= -.90343100E+02 E0= -.90351469E+02 d E =0.251054E-01