./iterations/neb0_image01_iter197_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 0.365847702213E+03 0.36585E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.323229887565E+01 -0.36262E+03 -0.34964E+03 839 0.196E+02
DAV: 3 -0.956021388954E+02 -0.98834E+02 -0.98487E+02 669 0.116E+02
DAV: 4 -0.100234955742E+03 -0.46328E+01 -0.46217E+01 696 0.287E+01
DAV: 5 -0.100327755795E+03 -0.92800E-01 -0.92751E-01 728 0.362E+00 0.223E+01
DAV: 6 -0.916944180048E+02 0.86333E+01 -0.30935E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908848448300E+02 0.80957E+00 -0.18267E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905089325650E+02 0.37591E+00 -0.55621E-01 704 0.430E+00 0.167E+00
DAV: 9 -0.904270468486E+02 0.81886E-01 -0.13246E-01 720 0.166E+00 0.423E-01
DAV: 10 -0.904225419742E+02 0.45049E-02 -0.46850E-02 704 0.124E+00 0.321E-01
DAV: 11 -0.904265942327E+02 -0.40523E-02 -0.75581E-03 608 0.552E-01 0.123E-01
DAV: 12 -0.904300482130E+02 -0.34540E-02 -0.66279E-03 629 0.456E-01 0.132E-01
DAV: 13 -0.904324614662E+02 -0.24133E-02 -0.16356E-03 853 0.311E-01 0.747E-02
DAV: 14 -0.904355899877E+02 -0.31285E-02 -0.14456E-03 634 0.191E-01 0.673E-02
DAV: 15 -0.904372537429E+02 -0.16638E-02 -0.31157E-04 680 0.112E-01 0.540E-02
DAV: 16 -0.904386239226E+02 -0.13702E-02 -0.10361E-03 669 0.198E-01 0.371E-02
DAV: 17 -0.904394396467E+02 -0.81572E-03 -0.13762E-04 661 0.795E-02 0.326E-02
DAV: 18 -0.904397623780E+02 -0.32273E-03 -0.91474E-05 672 0.486E-02 0.164E-02
DAV: 19 -0.904399305877E+02 -0.16821E-03 -0.79722E-05 639 0.486E-02 0.934E-03
DAV: 20 -0.904399596681E+02 -0.29080E-04 -0.63305E-06 512 0.175E-02 0.946E-03
DAV: 21 -0.904399984524E+02 -0.38784E-04 -0.74232E-06 398 0.150E-02 0.647E-03
DAV: 22 -0.904400070700E+02 -0.86177E-05 -0.52417E-06 480 0.162E-02
1 F= -.90440007E+02 E0= -.90445603E+02 d E =0.167882E-01