./iterations/neb0_image07_iter48_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 0.374015363393E+03 0.37402E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.380844087428E+01 -0.37021E+03 -0.35730E+03 861 0.195E+02
DAV: 3 -0.962871280109E+02 -0.10010E+03 -0.99757E+02 672 0.117E+02
DAV: 4 -0.100721104428E+03 -0.44340E+01 -0.44232E+01 712 0.282E+01
DAV: 5 -0.100809127917E+03 -0.88023E-01 -0.87989E-01 728 0.356E+00 0.226E+01
DAV: 6 -0.922227454423E+02 0.85864E+01 -0.30568E+01 677 0.302E+01 0.118E+01
DAV: 7 -0.913593834011E+02 0.86336E+00 -0.16655E+00 728 0.617E+00 0.482E+00
DAV: 8 -0.909758892575E+02 0.38349E+00 -0.56696E-01 696 0.415E+00 0.163E+00
DAV: 9 -0.908901826553E+02 0.85707E-01 -0.13047E-01 720 0.158E+00 0.432E-01
DAV: 10 -0.908798691628E+02 0.10313E-01 -0.46744E-02 728 0.109E+00 0.311E-01
DAV: 11 -0.908848018646E+02 -0.49327E-02 -0.14529E-02 610 0.656E-01 0.170E-01
DAV: 12 -0.908868000755E+02 -0.19982E-02 -0.24238E-03 639 0.241E-01 0.135E-01
DAV: 13 -0.908912565645E+02 -0.44565E-02 -0.40163E-03 644 0.364E-01 0.691E-02
DAV: 14 -0.908929479774E+02 -0.16914E-02 -0.46998E-04 704 0.147E-01 0.438E-02
DAV: 15 -0.908964061624E+02 -0.34582E-02 -0.74359E-04 619 0.145E-01 0.304E-02
DAV: 16 -0.908971208641E+02 -0.71470E-03 -0.72384E-05 688 0.562E-02 0.213E-02
DAV: 17 -0.908978277601E+02 -0.70690E-03 -0.12131E-04 647 0.674E-02 0.935E-03
DAV: 18 -0.908983702421E+02 -0.54248E-03 -0.56738E-05 642 0.312E-02 0.107E-02
DAV: 19 -0.908984646471E+02 -0.94405E-04 -0.61360E-06 512 0.141E-02 0.740E-03
DAV: 20 -0.908985314378E+02 -0.66791E-04 -0.21091E-05 459 0.265E-02 0.408E-03
DAV: 21 -0.908985390031E+02 -0.75653E-05 -0.25428E-06 536 0.107E-02
1 F= -.90898539E+02 E0= -.90904117E+02 d E =0.167331E-01