./iterations/neb0_image06_iter236_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 0.370397801261E+03 0.37040E+03 -0.14353E+04 640 0.799E+02
DAV: 2 0.391357252740E+01 -0.36648E+03 -0.35436E+03 858 0.193E+02
DAV: 3 -0.954318716462E+02 -0.99345E+02 -0.98977E+02 664 0.116E+02
DAV: 4 -0.100169497022E+03 -0.47376E+01 -0.47230E+01 720 0.287E+01
DAV: 5 -0.100268294916E+03 -0.98798E-01 -0.98741E-01 728 0.369E+00 0.225E+01
DAV: 6 -0.917299282072E+02 0.85384E+01 -0.30019E+01 696 0.301E+01 0.118E+01
DAV: 7 -0.908937723332E+02 0.83616E+00 -0.17471E+00 712 0.631E+00 0.481E+00
DAV: 8 -0.905180970861E+02 0.37568E+00 -0.57564E-01 712 0.424E+00 0.165E+00
DAV: 9 -0.904311390592E+02 0.86958E-01 -0.12866E-01 720 0.162E+00 0.432E-01
DAV: 10 -0.904210925626E+02 0.10046E-01 -0.34028E-02 720 0.909E-01 0.284E-01
DAV: 11 -0.904249778036E+02 -0.38852E-02 -0.96153E-03 602 0.514E-01 0.152E-01
DAV: 12 -0.904273452788E+02 -0.23675E-02 -0.32394E-03 640 0.336E-01 0.858E-02
DAV: 13 -0.904311858642E+02 -0.38406E-02 -0.19801E-03 614 0.211E-01 0.771E-02
DAV: 14 -0.904342700106E+02 -0.30841E-02 -0.10225E-03 677 0.227E-01 0.349E-02
DAV: 15 -0.904364251181E+02 -0.21551E-02 -0.32759E-04 653 0.993E-02 0.374E-02
DAV: 16 -0.904380212729E+02 -0.15962E-02 -0.34883E-04 706 0.113E-01 0.196E-02
DAV: 17 -0.904388224299E+02 -0.80116E-03 -0.12215E-04 645 0.623E-02 0.126E-02
DAV: 18 -0.904390252065E+02 -0.20278E-03 -0.19880E-05 576 0.203E-02 0.897E-03
DAV: 19 -0.904391893608E+02 -0.16415E-03 -0.25796E-05 508 0.235E-02 0.254E-03
DAV: 20 -0.904392102905E+02 -0.20930E-04 -0.43985E-06 488 0.110E-02 0.250E-03
DAV: 21 -0.904392269251E+02 -0.16635E-04 -0.19783E-06 401 0.560E-03 0.171E-03
DAV: 22 -0.904392305285E+02 -0.36034E-05 -0.59204E-07 461 0.334E-03
1 F= -.90439231E+02 E0= -.90443908E+02 d E =0.140331E-01