./iterations/neb0_image01_iter297_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 0.363692772605E+03 0.36369E+03 -0.14335E+04 632 0.799E+02
DAV: 2 0.316629664797E+01 -0.36053E+03 -0.34822E+03 828 0.195E+02
DAV: 3 -0.956927334627E+02 -0.98859E+02 -0.98522E+02 666 0.116E+02
DAV: 4 -0.100263783163E+03 -0.45710E+01 -0.45581E+01 696 0.283E+01
DAV: 5 -0.100351671613E+03 -0.87888E-01 -0.87842E-01 728 0.355E+00 0.223E+01
DAV: 6 -0.917139745634E+02 0.86377E+01 -0.30864E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908918496058E+02 0.82212E+00 -0.18521E+00 720 0.638E+00 0.484E+00
DAV: 8 -0.905105722358E+02 0.38128E+00 -0.56012E-01 696 0.431E+00 0.168E+00
DAV: 9 -0.904250437864E+02 0.85528E-01 -0.13601E-01 712 0.164E+00 0.428E-01
DAV: 10 -0.904196166691E+02 0.54271E-02 -0.45466E-02 701 0.125E+00 0.317E-01
DAV: 11 -0.904233436341E+02 -0.37270E-02 -0.64733E-03 608 0.479E-01 0.146E-01
DAV: 12 -0.904268350881E+02 -0.34915E-02 -0.73165E-03 620 0.494E-01 0.131E-01
DAV: 13 -0.904295667628E+02 -0.27317E-02 -0.16093E-03 885 0.321E-01 0.763E-02
DAV: 14 -0.904326166203E+02 -0.30499E-02 -0.12665E-03 639 0.164E-01 0.560E-02
DAV: 15 -0.904347807079E+02 -0.21641E-02 -0.37402E-04 680 0.108E-01 0.433E-02
DAV: 16 -0.904363187092E+02 -0.15380E-02 -0.70987E-04 650 0.154E-01 0.329E-02
DAV: 17 -0.904370525854E+02 -0.73388E-03 -0.13900E-04 736 0.854E-02 0.208E-02
DAV: 18 -0.904372893942E+02 -0.23681E-03 -0.82212E-05 648 0.437E-02 0.846E-03
DAV: 19 -0.904374370464E+02 -0.14765E-03 -0.24617E-05 522 0.244E-02 0.461E-03
DAV: 20 -0.904374678918E+02 -0.30845E-04 -0.31351E-06 480 0.103E-02 0.521E-03
DAV: 21 -0.904375068688E+02 -0.38977E-04 -0.59778E-06 412 0.134E-02 0.306E-03
DAV: 22 -0.904375141526E+02 -0.72838E-05 -0.33262E-06 480 0.107E-02
1 F= -.90437514E+02 E0= -.90443394E+02 d E =0.176385E-01