iterations/neb0_image09_iter238_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 0.374148158259E+03 0.37415E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.331395024722E+01 -0.37083E+03 -0.35822E+03 869 0.196E+02
DAV: 3 -0.967438409885E+02 -0.10006E+03 -0.99729E+02 661 0.117E+02
DAV: 4 -0.101274003980E+03 -0.45302E+01 -0.45196E+01 720 0.287E+01
DAV: 5 -0.101362785857E+03 -0.88782E-01 -0.88742E-01 728 0.365E+00 0.227E+01
DAV: 6 -0.926820010380E+02 0.86808E+01 -0.30984E+01 728 0.300E+01 0.119E+01
DAV: 7 -0.918113587353E+02 0.87064E+00 -0.17180E+00 720 0.612E+00 0.480E+00
DAV: 8 -0.914353130585E+02 0.37605E+00 -0.54474E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913546028077E+02 0.80710E-01 -0.13214E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913465158659E+02 0.80869E-02 -0.43955E-02 760 0.109E+00 0.300E-01
DAV: 11 -0.913508599779E+02 -0.43441E-02 -0.11788E-02 608 0.565E-01 0.132E-01
DAV: 12 -0.913541197356E+02 -0.32598E-02 -0.28443E-03 623 0.245E-01 0.107E-01
DAV: 13 -0.913575772801E+02 -0.34575E-02 -0.12323E-03 669 0.191E-01 0.435E-02
DAV: 14 -0.913609340855E+02 -0.33568E-02 -0.74858E-04 656 0.153E-01 0.371E-02
DAV: 15 -0.913621039839E+02 -0.11699E-02 -0.13102E-04 768 0.814E-02 0.330E-02
DAV: 16 -0.913636045332E+02 -0.15005E-02 -0.34193E-04 642 0.926E-02 0.173E-02
DAV: 17 -0.913640264264E+02 -0.42189E-03 -0.65598E-05 688 0.574E-02 0.121E-02
DAV: 18 -0.913642664506E+02 -0.24002E-03 -0.38257E-05 565 0.269E-02 0.857E-03
DAV: 19 -0.913643308445E+02 -0.64394E-04 -0.85325E-06 488 0.154E-02 0.384E-03
DAV: 20 -0.913643597812E+02 -0.28937E-04 -0.50886E-06 432 0.142E-02 0.139E-03
DAV: 21 -0.913643765495E+02 -0.16768E-04 -0.29039E-06 445 0.778E-03 0.217E-03
DAV: 22 -0.913643802343E+02 -0.36849E-05 -0.60147E-07 480 0.382E-03
1 F= -.91364380E+02 E0= -.91369201E+02 d E =0.144634E-01