./iterations/neb0_image07_iter58_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 0.377160575603E+03 0.37716E+03 -0.14275E+04 624 0.799E+02
DAV: 2 0.434104767150E+01 -0.37282E+03 -0.35956E+03 869 0.196E+02
DAV: 3 -0.962299352691E+02 -0.10057E+03 -0.10024E+03 672 0.117E+02
DAV: 4 -0.100722391389E+03 -0.44925E+01 -0.44821E+01 704 0.285E+01
DAV: 5 -0.100811357218E+03 -0.88966E-01 -0.88925E-01 720 0.360E+00 0.226E+01
DAV: 6 -0.922564388371E+02 0.85549E+01 -0.30623E+01 701 0.302E+01 0.118E+01
DAV: 7 -0.914018931121E+02 0.85455E+00 -0.16483E+00 728 0.614E+00 0.481E+00
DAV: 8 -0.910219263194E+02 0.37997E+00 -0.55378E-01 704 0.408E+00 0.162E+00
DAV: 9 -0.909374560511E+02 0.84470E-01 -0.13182E-01 712 0.156E+00 0.425E-01
DAV: 10 -0.909276719750E+02 0.97841E-02 -0.48410E-02 736 0.114E+00 0.312E-01
DAV: 11 -0.909318651515E+02 -0.41932E-02 -0.11597E-02 616 0.571E-01 0.132E-01
DAV: 12 -0.909350271953E+02 -0.31620E-02 -0.37617E-03 605 0.305E-01 0.135E-01
DAV: 13 -0.909384701019E+02 -0.34429E-02 -0.14996E-03 733 0.256E-01 0.585E-02
DAV: 14 -0.909412438069E+02 -0.27737E-02 -0.87157E-04 672 0.135E-01 0.499E-02
DAV: 15 -0.909440097001E+02 -0.27659E-02 -0.29934E-04 634 0.873E-02 0.384E-02
DAV: 16 -0.909451782939E+02 -0.11686E-02 -0.37445E-04 677 0.992E-02 0.234E-02
DAV: 17 -0.909458141887E+02 -0.63589E-03 -0.96422E-05 709 0.607E-02 0.157E-02
DAV: 18 -0.909459986544E+02 -0.18447E-03 -0.40627E-05 688 0.310E-02 0.115E-02
DAV: 19 -0.909460773063E+02 -0.78652E-04 -0.16503E-05 426 0.302E-02 0.410E-03
DAV: 20 -0.909460991547E+02 -0.21848E-04 -0.93759E-06 528 0.170E-02 0.341E-03
DAV: 21 -0.909461299600E+02 -0.30805E-04 -0.40865E-06 404 0.104E-02 0.224E-03
DAV: 22 -0.909461400519E+02 -0.10092E-04 -0.14801E-06 477 0.564E-03 0.167E-03
DAV: 23 -0.909461447333E+02 -0.46813E-05 -0.11290E-06 417 0.654E-03
1 F= -.90946145E+02 E0= -.90951203E+02 d E =0.151749E-01