iterations/neb0_image09_iter251_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 0.374225523693E+03 0.37423E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.331804421048E+01 -0.37091E+03 -0.35828E+03 869 0.196E+02
DAV: 3 -0.967630540527E+02 -0.10008E+03 -0.99753E+02 661 0.117E+02
DAV: 4 -0.101284946094E+03 -0.45219E+01 -0.45114E+01 720 0.287E+01
DAV: 5 -0.101373498751E+03 -0.88553E-01 -0.88515E-01 736 0.364E+00 0.227E+01
DAV: 6 -0.926825689933E+02 0.86909E+01 -0.31003E+01 720 0.300E+01 0.119E+01
DAV: 7 -0.918116172230E+02 0.87095E+00 -0.17215E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914356226594E+02 0.37599E+00 -0.54183E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913547957265E+02 0.80827E-01 -0.13269E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913467608163E+02 0.80349E-02 -0.44342E-02 768 0.109E+00 0.301E-01
DAV: 11 -0.913511351321E+02 -0.43743E-02 -0.12102E-02 608 0.575E-01 0.133E-01
DAV: 12 -0.913543271062E+02 -0.31920E-02 -0.28045E-03 623 0.241E-01 0.107E-01
DAV: 13 -0.913578321385E+02 -0.35050E-02 -0.13390E-03 669 0.196E-01 0.427E-02
DAV: 14 -0.913612580109E+02 -0.34259E-02 -0.71558E-04 656 0.151E-01 0.355E-02
DAV: 15 -0.913623739772E+02 -0.11160E-02 -0.12295E-04 776 0.788E-02 0.325E-02
DAV: 16 -0.913638395918E+02 -0.14656E-02 -0.33475E-04 634 0.921E-02 0.176E-02
DAV: 17 -0.913642348979E+02 -0.39531E-03 -0.56531E-05 680 0.528E-02 0.120E-02
DAV: 18 -0.913644845224E+02 -0.24962E-03 -0.41606E-05 565 0.285E-02 0.893E-03
DAV: 19 -0.913645531389E+02 -0.68616E-04 -0.80992E-06 496 0.154E-02 0.429E-03
DAV: 20 -0.913645840143E+02 -0.30875E-04 -0.64930E-06 432 0.162E-02 0.177E-03
DAV: 21 -0.913646008864E+02 -0.16872E-04 -0.32691E-06 445 0.846E-03 0.251E-03
DAV: 22 -0.913646044689E+02 -0.35825E-05 -0.65927E-07 488 0.454E-03
1 F= -.91364604E+02 E0= -.91369449E+02 d E =0.145334E-01