./iterations/neb0_image08_iter188_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 0.374376096277E+03 0.37438E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.358975246002E+01 -0.37079E+03 -0.35853E+03 863 0.196E+02
DAV: 3 -0.966776692195E+02 -0.10027E+03 -0.99964E+02 669 0.117E+02
DAV: 4 -0.101272038447E+03 -0.45944E+01 -0.45821E+01 728 0.287E+01
DAV: 5 -0.101362238288E+03 -0.90200E-01 -0.90145E-01 712 0.363E+00 0.228E+01
DAV: 6 -0.926639285507E+02 0.86983E+01 -0.30927E+01 712 0.301E+01 0.119E+01
DAV: 7 -0.917903410627E+02 0.87359E+00 -0.17305E+00 720 0.614E+00 0.480E+00
DAV: 8 -0.914148208154E+02 0.37552E+00 -0.54449E-01 712 0.396E+00 0.162E+00
DAV: 9 -0.913348135238E+02 0.80007E-01 -0.13113E-01 728 0.155E+00 0.420E-01
DAV: 10 -0.913267754770E+02 0.80380E-02 -0.44257E-02 744 0.109E+00 0.301E-01
DAV: 11 -0.913315176966E+02 -0.47422E-02 -0.13056E-02 605 0.594E-01 0.143E-01
DAV: 12 -0.913345173899E+02 -0.29997E-02 -0.27627E-03 630 0.243E-01 0.103E-01
DAV: 13 -0.913379450275E+02 -0.34276E-02 -0.16104E-03 639 0.208E-01 0.448E-02
DAV: 14 -0.913415791615E+02 -0.36341E-02 -0.96951E-04 663 0.204E-01 0.405E-02
DAV: 15 -0.913423793219E+02 -0.80016E-03 -0.21454E-04 712 0.959E-02 0.322E-02
DAV: 16 -0.913432733769E+02 -0.89406E-03 -0.20944E-04 701 0.867E-02 0.121E-02
DAV: 17 -0.913441008234E+02 -0.82745E-03 -0.80684E-05 656 0.408E-02 0.128E-02
DAV: 18 -0.913443761594E+02 -0.27534E-03 -0.30293E-05 624 0.231E-02 0.945E-03
DAV: 19 -0.913444944088E+02 -0.11825E-03 -0.27935E-05 568 0.303E-02 0.482E-03
DAV: 20 -0.913445143720E+02 -0.19963E-04 -0.36627E-06 512 0.130E-02 0.340E-03
DAV: 21 -0.913445281495E+02 -0.13778E-04 -0.30839E-06 407 0.923E-03 0.122E-03
DAV: 22 -0.913445354135E+02 -0.72639E-05 -0.10309E-06 456 0.435E-03
1 F= -.91344535E+02 E0= -.91349630E+02 d E =0.152841E-01