./iterations/neb0_image08_iter191_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 0.374386569886E+03 0.37439E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.359663361030E+01 -0.37079E+03 -0.35847E+03 866 0.196E+02
DAV: 3 -0.966860870210E+02 -0.10028E+03 -0.99979E+02 669 0.117E+02
DAV: 4 -0.101273246901E+03 -0.45872E+01 -0.45752E+01 728 0.287E+01
DAV: 5 -0.101363171618E+03 -0.89925E-01 -0.89871E-01 720 0.363E+00 0.228E+01
DAV: 6 -0.926593242398E+02 0.87038E+01 -0.30963E+01 704 0.301E+01 0.119E+01
DAV: 7 -0.917894111885E+02 0.86991E+00 -0.17372E+00 720 0.615E+00 0.480E+00
DAV: 8 -0.914145951819E+02 0.37482E+00 -0.53989E-01 720 0.394E+00 0.162E+00
DAV: 9 -0.913342245510E+02 0.80371E-01 -0.13219E-01 728 0.155E+00 0.420E-01
DAV: 10 -0.913262596189E+02 0.79649E-02 -0.44551E-02 760 0.109E+00 0.302E-01
DAV: 11 -0.913310196978E+02 -0.47601E-02 -0.13277E-02 605 0.602E-01 0.144E-01
DAV: 12 -0.913339515773E+02 -0.29319E-02 -0.27669E-03 630 0.241E-01 0.103E-01
DAV: 13 -0.913374749802E+02 -0.35234E-02 -0.17366E-03 639 0.215E-01 0.455E-02
DAV: 14 -0.913410731511E+02 -0.35982E-02 -0.93076E-04 645 0.196E-01 0.379E-02
DAV: 15 -0.913418919802E+02 -0.81883E-03 -0.20790E-04 712 0.925E-02 0.299E-02
DAV: 16 -0.913427899986E+02 -0.89802E-03 -0.20200E-04 695 0.861E-02 0.120E-02
DAV: 17 -0.913435694740E+02 -0.77948E-03 -0.72183E-05 656 0.383E-02 0.132E-02
DAV: 18 -0.913438295478E+02 -0.26007E-03 -0.28650E-05 616 0.233E-02 0.907E-03
DAV: 19 -0.913439483075E+02 -0.11876E-03 -0.29368E-05 584 0.307E-02 0.527E-03
DAV: 20 -0.913439674073E+02 -0.19100E-04 -0.34855E-06 512 0.133E-02 0.344E-03
DAV: 21 -0.913439808588E+02 -0.13452E-04 -0.38529E-06 407 0.106E-02 0.128E-03
DAV: 22 -0.913439869655E+02 -0.61068E-05 -0.84443E-07 456 0.451E-03
1 F= -.91343987E+02 E0= -.91349180E+02 d E =0.155780E-01