iterations/neb0_image09_iter215_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 0.374022722523E+03 0.37402E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.326848122861E+01 -0.37075E+03 -0.35811E+03 869 0.196E+02
DAV: 3 -0.967350168013E+02 -0.10000E+03 -0.99674E+02 661 0.117E+02
DAV: 4 -0.101268116692E+03 -0.45331E+01 -0.45225E+01 720 0.287E+01
DAV: 5 -0.101356834251E+03 -0.88718E-01 -0.88677E-01 720 0.365E+00 0.227E+01
DAV: 6 -0.926800416864E+02 0.86768E+01 -0.30996E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918105458525E+02 0.86950E+00 -0.17233E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914346267278E+02 0.37592E+00 -0.54445E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913535501086E+02 0.81077E-01 -0.13138E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913453304772E+02 0.82196E-02 -0.44250E-02 760 0.110E+00 0.299E-01
DAV: 11 -0.913497204801E+02 -0.43900E-02 -0.11811E-02 608 0.565E-01 0.132E-01
DAV: 12 -0.913529909793E+02 -0.32705E-02 -0.29528E-03 623 0.244E-01 0.114E-01
DAV: 13 -0.913564684683E+02 -0.34775E-02 -0.13969E-03 719 0.209E-01 0.408E-02
DAV: 14 -0.913594987473E+02 -0.30303E-02 -0.54972E-04 664 0.123E-01 0.370E-02
DAV: 15 -0.913612007332E+02 -0.17020E-02 -0.14731E-04 672 0.741E-02 0.323E-02
DAV: 16 -0.913625458322E+02 -0.13451E-02 -0.33674E-04 664 0.891E-02 0.202E-02
DAV: 17 -0.913628962369E+02 -0.35040E-03 -0.81693E-05 736 0.640E-02 0.119E-02
DAV: 18 -0.913631216362E+02 -0.22540E-03 -0.36993E-05 573 0.260E-02 0.107E-02
DAV: 19 -0.913631800391E+02 -0.58403E-04 -0.97723E-06 488 0.204E-02 0.465E-03
DAV: 20 -0.913632139777E+02 -0.33939E-04 -0.14454E-05 432 0.238E-02 0.431E-03
DAV: 21 -0.913632247211E+02 -0.10743E-04 -0.31362E-06 480 0.974E-03 0.379E-03
DAV: 22 -0.913632300821E+02 -0.53610E-05 -0.15059E-06 432 0.827E-03
1 F= -.91363230E+02 E0= -.91367987E+02 d E =0.142715E-01