iterations/neb0_image09_iter227_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 0.374002885177E+03 0.37400E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.329431260593E+01 -0.37071E+03 -0.35809E+03 869 0.196E+02
DAV: 3 -0.967204685299E+02 -0.10001E+03 -0.99685E+02 661 0.117E+02
DAV: 4 -0.101253862954E+03 -0.45334E+01 -0.45228E+01 720 0.287E+01
DAV: 5 -0.101342888867E+03 -0.89026E-01 -0.88985E-01 720 0.365E+00 0.227E+01
DAV: 6 -0.926758008085E+02 0.86671E+01 -0.30988E+01 728 0.300E+01 0.119E+01
DAV: 7 -0.918100093332E+02 0.86579E+00 -0.17159E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914347564490E+02 0.37525E+00 -0.54443E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913539273582E+02 0.80829E-01 -0.13168E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913457832889E+02 0.81441E-02 -0.43875E-02 760 0.108E+00 0.299E-01
DAV: 11 -0.913501377239E+02 -0.43544E-02 -0.11694E-02 608 0.562E-01 0.132E-01
DAV: 12 -0.913533894675E+02 -0.32517E-02 -0.28449E-03 623 0.243E-01 0.107E-01
DAV: 13 -0.913568467185E+02 -0.34573E-02 -0.11980E-03 674 0.189E-01 0.431E-02
DAV: 14 -0.913601145395E+02 -0.32678E-02 -0.71584E-04 664 0.146E-01 0.376E-02
DAV: 15 -0.913613770863E+02 -0.12625E-02 -0.13404E-04 752 0.814E-02 0.326E-02
DAV: 16 -0.913628687744E+02 -0.14917E-02 -0.32562E-04 648 0.878E-02 0.170E-02
DAV: 17 -0.913633032846E+02 -0.43451E-03 -0.66977E-05 688 0.561E-02 0.122E-02
DAV: 18 -0.913635470314E+02 -0.24375E-03 -0.41102E-05 565 0.278E-02 0.884E-03
DAV: 19 -0.913635947865E+02 -0.47755E-04 -0.72518E-06 504 0.153E-02 0.427E-03
DAV: 20 -0.913636231344E+02 -0.28348E-04 -0.64476E-06 421 0.162E-02 0.150E-03
DAV: 21 -0.913636375651E+02 -0.14431E-04 -0.24198E-06 453 0.740E-03 0.231E-03
DAV: 22 -0.913636420443E+02 -0.44793E-05 -0.56451E-07 472 0.417E-03
1 F= -.91363642E+02 E0= -.91368424E+02 d E =0.143466E-01