./iterations/neb0_image03_iter284_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 0.363086648183E+03 0.36309E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.101960785491E+01 -0.36207E+03 -0.34962E+03 853 0.195E+02
DAV: 3 -0.960270607893E+02 -0.97047E+02 -0.96739E+02 669 0.115E+02
DAV: 4 -0.100299876430E+03 -0.42728E+01 -0.42635E+01 696 0.277E+01
DAV: 5 -0.100382914430E+03 -0.83038E-01 -0.83015E-01 736 0.348E+00 0.223E+01
DAV: 6 -0.917015025125E+02 0.86814E+01 -0.31392E+01 677 0.300E+01 0.117E+01
DAV: 7 -0.908657883403E+02 0.83571E+00 -0.17925E+00 712 0.633E+00 0.485E+00
DAV: 8 -0.904756230482E+02 0.39017E+00 -0.55713E-01 696 0.427E+00 0.169E+00
DAV: 9 -0.903863326734E+02 0.89290E-01 -0.13440E-01 720 0.170E+00 0.439E-01
DAV: 10 -0.903800534567E+02 0.62792E-02 -0.43368E-02 720 0.114E+00 0.325E-01
DAV: 11 -0.903838290352E+02 -0.37756E-02 -0.58228E-03 632 0.589E-01 0.119E-01
DAV: 12 -0.903871424622E+02 -0.33134E-02 -0.50140E-03 624 0.332E-01 0.112E-01
DAV: 13 -0.903914874299E+02 -0.43450E-02 -0.13253E-03 759 0.241E-01 0.783E-02
DAV: 14 -0.903949561392E+02 -0.34687E-02 -0.12444E-03 645 0.155E-01 0.520E-02
DAV: 15 -0.903970407497E+02 -0.20846E-02 -0.30754E-04 688 0.103E-01 0.201E-02
DAV: 16 -0.903984357335E+02 -0.13950E-02 -0.27029E-04 655 0.832E-02 0.265E-02
DAV: 17 -0.903988713110E+02 -0.43558E-03 -0.99522E-05 757 0.721E-02 0.126E-02
DAV: 18 -0.903991683689E+02 -0.29706E-03 -0.54275E-05 633 0.352E-02 0.966E-03
DAV: 19 -0.903993042921E+02 -0.13592E-03 -0.13974E-05 482 0.219E-02 0.553E-03
DAV: 20 -0.903993741402E+02 -0.69848E-04 -0.18698E-05 520 0.237E-02 0.384E-03
DAV: 21 -0.903994131080E+02 -0.38968E-04 -0.47447E-06 439 0.152E-02 0.163E-03
DAV: 22 -0.903994213641E+02 -0.82560E-05 -0.28342E-06 496 0.816E-03
1 F= -.90399421E+02 E0= -.90407828E+02 d E =0.252201E-01