iterations/neb0_image01_iter67_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 0.366669008442E+03 0.36667E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.343933838441E+01 -0.36323E+03 -0.34981E+03 839 0.195E+02
DAV: 3 -0.957404937380E+02 -0.99180E+02 -0.98839E+02 680 0.116E+02
DAV: 4 -0.100202415023E+03 -0.44619E+01 -0.44526E+01 693 0.283E+01
DAV: 5 -0.100290248845E+03 -0.87834E-01 -0.87783E-01 744 0.355E+00 0.222E+01
DAV: 6 -0.916705958256E+02 0.86197E+01 -0.31224E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908613041804E+02 0.80929E+00 -0.18202E+00 720 0.634E+00 0.484E+00
DAV: 8 -0.904803213223E+02 0.38098E+00 -0.55302E-01 704 0.424E+00 0.168E+00
DAV: 9 -0.903946709773E+02 0.85650E-01 -0.13761E-01 696 0.164E+00 0.429E-01
DAV: 10 -0.903890374238E+02 0.56336E-02 -0.46640E-02 728 0.127E+00 0.319E-01
DAV: 11 -0.903927744862E+02 -0.37371E-02 -0.68562E-03 608 0.482E-01 0.148E-01
DAV: 12 -0.903963098147E+02 -0.35353E-02 -0.72418E-03 632 0.489E-01 0.129E-01
DAV: 13 -0.903991157084E+02 -0.28059E-02 -0.13829E-03 832 0.309E-01 0.783E-02
DAV: 14 -0.904019928212E+02 -0.28771E-02 -0.14801E-03 623 0.185E-01 0.605E-02
DAV: 15 -0.904042111841E+02 -0.22184E-02 -0.44206E-04 680 0.128E-01 0.466E-02
DAV: 16 -0.904054549220E+02 -0.12437E-02 -0.71505E-04 661 0.155E-01 0.350E-02
DAV: 17 -0.904063209954E+02 -0.86607E-03 -0.18687E-04 845 0.942E-02 0.207E-02
DAV: 18 -0.904064717359E+02 -0.15074E-03 -0.34546E-05 712 0.307E-02 0.147E-02
DAV: 19 -0.904067431107E+02 -0.27137E-03 -0.59628E-05 633 0.397E-02 0.460E-03
DAV: 20 -0.904067772912E+02 -0.34181E-04 -0.54391E-06 480 0.134E-02 0.520E-03
DAV: 21 -0.904068184210E+02 -0.41130E-04 -0.53470E-06 428 0.138E-02 0.401E-03
DAV: 22 -0.904068398984E+02 -0.21477E-04 -0.45157E-06 477 0.109E-02 0.286E-03
DAV: 23 -0.904068427361E+02 -0.28378E-05 -0.24939E-06 520 0.896E-03
1 F= -.90406843E+02 E0= -.90412030E+02 d E =0.155608E-01