iterations/neb0_image03_iter85_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 0.367144362231E+03 0.36714E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.282034372191E+01 -0.36432E+03 -0.35181E+03 853 0.195E+02
DAV: 3 -0.956019141091E+02 -0.98422E+02 -0.98103E+02 661 0.116E+02
DAV: 4 -0.100133075826E+03 -0.45312E+01 -0.45215E+01 720 0.287E+01
DAV: 5 -0.100221455764E+03 -0.88380E-01 -0.88345E-01 736 0.360E+00 0.222E+01
DAV: 6 -0.916415133344E+02 0.85799E+01 -0.30679E+01 680 0.296E+01 0.116E+01
DAV: 7 -0.907972158774E+02 0.84430E+00 -0.18318E+00 704 0.639E+00 0.483E+00
DAV: 8 -0.903922154306E+02 0.40500E+00 -0.57026E-01 688 0.431E+00 0.164E+00
DAV: 9 -0.902971636599E+02 0.95052E-01 -0.13837E-01 696 0.173E+00 0.435E-01
DAV: 10 -0.902892138660E+02 0.79498E-02 -0.51605E-02 712 0.122E+00 0.341E-01
DAV: 11 -0.902931874019E+02 -0.39735E-02 -0.89842E-03 605 0.596E-01 0.117E-01
DAV: 12 -0.902958645347E+02 -0.26771E-02 -0.52421E-03 647 0.324E-01 0.129E-01
DAV: 13 -0.902996284581E+02 -0.37639E-02 -0.20089E-03 824 0.365E-01 0.821E-02
DAV: 14 -0.903028535534E+02 -0.32251E-02 -0.11107E-03 645 0.157E-01 0.651E-02
DAV: 15 -0.903051760555E+02 -0.23225E-02 -0.41739E-04 696 0.118E-01 0.341E-02
DAV: 16 -0.903071033073E+02 -0.19273E-02 -0.66218E-04 674 0.143E-01 0.383E-02
DAV: 17 -0.903076776149E+02 -0.57431E-03 -0.13737E-04 744 0.739E-02 0.215E-02
DAV: 18 -0.903079722406E+02 -0.29463E-03 -0.90427E-05 648 0.528E-02 0.661E-03
DAV: 19 -0.903081169144E+02 -0.14467E-03 -0.11531E-05 469 0.197E-02 0.614E-03
DAV: 20 -0.903081912058E+02 -0.74291E-04 -0.11715E-05 450 0.187E-02 0.516E-03
DAV: 21 -0.903082270867E+02 -0.35881E-04 -0.59198E-06 456 0.146E-02 0.287E-03
DAV: 22 -0.903082390165E+02 -0.11930E-04 -0.41611E-06 456 0.127E-02 0.191E-03
DAV: 23 -0.903082430611E+02 -0.40446E-05 -0.15700E-06 456 0.712E-03
1 F= -.90308243E+02 E0= -.90315876E+02 d E =0.228984E-01