iterations/neb0_image09_iter261_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 0.374146397703E+03 0.37415E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.330806212206E+01 -0.37084E+03 -0.35818E+03 869 0.196E+02
DAV: 3 -0.967668612147E+02 -0.10007E+03 -0.99747E+02 661 0.117E+02
DAV: 4 -0.101286852806E+03 -0.45200E+01 -0.45095E+01 720 0.287E+01
DAV: 5 -0.101375277304E+03 -0.88424E-01 -0.88387E-01 728 0.364E+00 0.227E+01
DAV: 6 -0.926832924518E+02 0.86920E+01 -0.31028E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918126899239E+02 0.87060E+00 -0.17232E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914368386572E+02 0.37585E+00 -0.54160E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913555034506E+02 0.81335E-01 -0.13250E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913473898197E+02 0.81136E-02 -0.44689E-02 768 0.109E+00 0.302E-01
DAV: 11 -0.913518852814E+02 -0.44955E-02 -0.12589E-02 608 0.586E-01 0.137E-01
DAV: 12 -0.913549923255E+02 -0.31070E-02 -0.28151E-03 623 0.238E-01 0.109E-01
DAV: 13 -0.913585728632E+02 -0.35805E-02 -0.16184E-03 685 0.214E-01 0.430E-02
DAV: 14 -0.913621028897E+02 -0.35300E-02 -0.68358E-04 656 0.152E-01 0.319E-02
DAV: 15 -0.913631506470E+02 -0.10478E-02 -0.11629E-04 712 0.718E-02 0.307E-02
DAV: 16 -0.913645865345E+02 -0.14359E-02 -0.38744E-04 634 0.109E-01 0.229E-02
DAV: 17 -0.913648508962E+02 -0.26436E-03 -0.57050E-05 688 0.588E-02 0.131E-02
DAV: 18 -0.913650692316E+02 -0.21834E-03 -0.53031E-05 637 0.379E-02 0.105E-02
DAV: 19 -0.913652106961E+02 -0.14146E-03 -0.14632E-05 440 0.208E-02 0.447E-03
DAV: 20 -0.913652462384E+02 -0.35542E-04 -0.87628E-06 496 0.162E-02 0.189E-03
DAV: 21 -0.913652655144E+02 -0.19276E-04 -0.34940E-06 426 0.934E-03 0.215E-03
DAV: 22 -0.913652724115E+02 -0.68971E-05 -0.11523E-06 464 0.470E-03
1 F= -.91365272E+02 E0= -.91370109E+02 d E =0.145099E-01