./iterations/neb0_image09_iter45_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 0.374302823442E+03 0.37430E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.254952161036E+01 -0.37175E+03 -0.35935E+03 877 0.195E+02
DAV: 3 -0.966201678869E+02 -0.99170E+02 -0.98835E+02 656 0.117E+02
DAV: 4 -0.101165209944E+03 -0.45450E+01 -0.45358E+01 696 0.289E+01
DAV: 5 -0.101255534362E+03 -0.90324E-01 -0.90285E-01 736 0.369E+00 0.226E+01
DAV: 6 -0.926372959045E+02 0.86182E+01 -0.30836E+01 709 0.300E+01 0.119E+01
DAV: 7 -0.917828958938E+02 0.85440E+00 -0.17026E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914081254356E+02 0.37477E+00 -0.54817E-01 712 0.398E+00 0.163E+00
DAV: 9 -0.913253727829E+02 0.82753E-01 -0.12850E-01 701 0.153E+00 0.422E-01
DAV: 10 -0.913163312324E+02 0.90416E-02 -0.43866E-02 744 0.108E+00 0.299E-01
DAV: 11 -0.913212356393E+02 -0.49044E-02 -0.13417E-02 602 0.594E-01 0.160E-01
DAV: 12 -0.913240101322E+02 -0.27745E-02 -0.27753E-03 642 0.244E-01 0.106E-01
DAV: 13 -0.913277604274E+02 -0.37503E-02 -0.16846E-03 669 0.214E-01 0.471E-02
DAV: 14 -0.913312386332E+02 -0.34782E-02 -0.73664E-04 661 0.176E-01 0.319E-02
DAV: 15 -0.913324572071E+02 -0.12186E-02 -0.15798E-04 696 0.780E-02 0.314E-02
DAV: 16 -0.913334813004E+02 -0.10241E-02 -0.21900E-04 666 0.904E-02 0.158E-02
DAV: 17 -0.913341698268E+02 -0.68853E-03 -0.76938E-05 658 0.516E-02 0.130E-02
DAV: 18 -0.913343986158E+02 -0.22879E-03 -0.39737E-05 600 0.328E-02 0.112E-02
DAV: 19 -0.913345481782E+02 -0.14956E-03 -0.20825E-05 471 0.225E-02 0.365E-03
DAV: 20 -0.913345834104E+02 -0.35232E-04 -0.59452E-06 504 0.122E-02 0.188E-03
DAV: 21 -0.913346065823E+02 -0.23172E-04 -0.33788E-06 407 0.838E-03 0.152E-03
DAV: 22 -0.913346123861E+02 -0.58038E-05 -0.11128E-06 472 0.412E-03
1 F= -.91334612E+02 E0= -.91339660E+02 d E =0.151443E-01