iterations/neb0_image02_iter235_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 0.365926164769E+03 0.36593E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.320525831322E+00 -0.36561E+03 -0.35511E+03 877 0.195E+02
DAV: 3 -0.956621924288E+02 -0.95983E+02 -0.95652E+02 632 0.115E+02
DAV: 4 -0.100218122296E+03 -0.45559E+01 -0.45454E+01 704 0.294E+01
DAV: 5 -0.100308979507E+03 -0.90857E-01 -0.90823E-01 736 0.373E+00 0.222E+01
DAV: 6 -0.916650406447E+02 0.86439E+01 -0.31008E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908539219770E+02 0.81112E+00 -0.18222E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904738553024E+02 0.38007E+00 -0.55421E-01 696 0.431E+00 0.170E+00
DAV: 9 -0.903881173471E+02 0.85738E-01 -0.13591E-01 720 0.167E+00 0.429E-01
DAV: 10 -0.903832795123E+02 0.48378E-02 -0.48664E-02 704 0.125E+00 0.328E-01
DAV: 11 -0.903869724662E+02 -0.36930E-02 -0.76830E-03 624 0.590E-01 0.119E-01
DAV: 12 -0.903900115837E+02 -0.30391E-02 -0.65503E-03 632 0.412E-01 0.134E-01
DAV: 13 -0.903926585228E+02 -0.26469E-02 -0.19034E-03 872 0.337E-01 0.817E-02
DAV: 14 -0.903957810557E+02 -0.31225E-02 -0.13201E-03 621 0.170E-01 0.699E-02
DAV: 15 -0.903975646805E+02 -0.17836E-02 -0.31748E-04 696 0.105E-01 0.517E-02
DAV: 16 -0.903990250846E+02 -0.14604E-02 -0.10502E-03 669 0.189E-01 0.413E-02
DAV: 17 -0.903996223983E+02 -0.59731E-03 -0.13886E-04 704 0.833E-02 0.275E-02
DAV: 18 -0.903999483571E+02 -0.32596E-03 -0.10155E-04 664 0.501E-02 0.858E-03
DAV: 19 -0.904001232292E+02 -0.17487E-03 -0.37668E-05 597 0.309E-02 0.768E-03
DAV: 20 -0.904001578588E+02 -0.34630E-04 -0.36693E-06 512 0.133E-02 0.611E-03
DAV: 21 -0.904002141345E+02 -0.56276E-04 -0.16840E-05 476 0.223E-02 0.361E-03
DAV: 22 -0.904002187398E+02 -0.46053E-05 -0.31421E-06 496 0.112E-02
1 F= -.90400219E+02 E0= -.90407050E+02 d E =0.204928E-01