iterations/neb0_image08_iter133_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 0.374578247787E+03 0.37458E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.317621463142E+01 -0.37140E+03 -0.35865E+03 869 0.196E+02
DAV: 3 -0.967568208491E+02 -0.99933E+02 -0.99595E+02 677 0.117E+02
DAV: 4 -0.101156152412E+03 -0.43993E+01 -0.43890E+01 704 0.278E+01
DAV: 5 -0.101243683541E+03 -0.87531E-01 -0.87495E-01 736 0.352E+00 0.226E+01
DAV: 6 -0.926252146332E+02 0.86185E+01 -0.30810E+01 714 0.301E+01 0.118E+01
DAV: 7 -0.917657307692E+02 0.85948E+00 -0.17048E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.913886028960E+02 0.37713E+00 -0.55795E-01 704 0.402E+00 0.161E+00
DAV: 9 -0.913075928400E+02 0.81010E-01 -0.13010E-01 720 0.157E+00 0.423E-01
DAV: 10 -0.912988710433E+02 0.87218E-02 -0.45338E-02 736 0.111E+00 0.303E-01
DAV: 11 -0.913034846247E+02 -0.46136E-02 -0.12888E-02 605 0.587E-01 0.145E-01
DAV: 12 -0.913065371253E+02 -0.30525E-02 -0.29253E-03 620 0.259E-01 0.109E-01
DAV: 13 -0.913098696664E+02 -0.33325E-02 -0.11580E-03 669 0.188E-01 0.495E-02
DAV: 14 -0.913131676146E+02 -0.32979E-02 -0.86102E-04 656 0.173E-01 0.387E-02
DAV: 15 -0.913146179446E+02 -0.14503E-02 -0.22308E-04 664 0.990E-02 0.442E-02
DAV: 16 -0.913158833425E+02 -0.12654E-02 -0.39307E-04 648 0.103E-01 0.175E-02
DAV: 17 -0.913163862961E+02 -0.50295E-03 -0.65535E-05 672 0.513E-02 0.163E-02
DAV: 18 -0.913166920382E+02 -0.30574E-03 -0.59505E-05 629 0.398E-02 0.109E-02
DAV: 19 -0.913167783018E+02 -0.86264E-04 -0.12559E-05 488 0.201E-02 0.487E-03
DAV: 20 -0.913168081184E+02 -0.29817E-04 -0.64265E-06 448 0.146E-02 0.189E-03
DAV: 21 -0.913168322174E+02 -0.24099E-04 -0.45884E-06 415 0.109E-02 0.217E-03
DAV: 22 -0.913168381625E+02 -0.59450E-05 -0.12062E-06 474 0.468E-03
1 F= -.91316838E+02 E0= -.91321825E+02 d E =0.149612E-01