iterations/neb0_image01_iter6_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 0.365736166502E+03 0.36574E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.243386522454E+01 -0.36330E+03 -0.35150E+03 850 0.196E+02
DAV: 3 -0.957552350097E+02 -0.98189E+02 -0.97870E+02 672 0.116E+02
DAV: 4 -0.100136418302E+03 -0.43812E+01 -0.43700E+01 704 0.280E+01
DAV: 5 -0.100221872244E+03 -0.85454E-01 -0.85406E-01 728 0.351E+00 0.223E+01
DAV: 6 -0.914881393708E+02 0.87337E+01 -0.31340E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.906709669159E+02 0.81717E+00 -0.18199E+00 720 0.633E+00 0.483E+00
DAV: 8 -0.902905374332E+02 0.38043E+00 -0.56110E-01 712 0.428E+00 0.169E+00
DAV: 9 -0.902043430186E+02 0.86194E-01 -0.13836E-01 736 0.165E+00 0.431E-01
DAV: 10 -0.901989607774E+02 0.53822E-02 -0.45188E-02 720 0.121E+00 0.317E-01
DAV: 11 -0.902028979987E+02 -0.39372E-02 -0.66304E-03 608 0.525E-01 0.128E-01
DAV: 12 -0.902064619517E+02 -0.35640E-02 -0.67045E-03 624 0.425E-01 0.133E-01
DAV: 13 -0.902092397740E+02 -0.27778E-02 -0.21036E-03 832 0.364E-01 0.768E-02
DAV: 14 -0.902120007758E+02 -0.27610E-02 -0.11235E-03 637 0.152E-01 0.611E-02
DAV: 15 -0.902139318409E+02 -0.19311E-02 -0.26179E-04 680 0.929E-02 0.350E-02
DAV: 16 -0.902155278285E+02 -0.15960E-02 -0.60033E-04 655 0.138E-01 0.350E-02
DAV: 17 -0.902160282224E+02 -0.50039E-03 -0.10020E-04 832 0.743E-02 0.170E-02
DAV: 18 -0.902164571593E+02 -0.42894E-03 -0.99290E-05 634 0.496E-02 0.758E-03
DAV: 19 -0.902165548301E+02 -0.97671E-04 -0.91852E-06 488 0.181E-02 0.793E-03
DAV: 20 -0.902166181914E+02 -0.63361E-04 -0.11685E-05 440 0.256E-02 0.414E-03
DAV: 21 -0.902166538922E+02 -0.35701E-04 -0.13738E-05 472 0.214E-02 0.493E-03
DAV: 22 -0.902166661993E+02 -0.12307E-04 -0.28336E-06 464 0.111E-02 0.320E-03
DAV: 23 -0.902166692532E+02 -0.30539E-05 -0.21866E-06 512 0.925E-03
1 F= -.90216669E+02 E0= -.90222376E+02 d E =0.171195E-01