iterations/neb0_image05_iter33_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 0.370448101415E+03 0.37045E+03 -0.14302E+04 632 0.799E+02
DAV: 2 0.446770683108E+01 -0.36598E+03 -0.35480E+03 874 0.194E+02
DAV: 3 -0.934446552901E+02 -0.97912E+02 -0.97522E+02 645 0.116E+02
DAV: 4 -0.981691829996E+02 -0.47245E+01 -0.47094E+01 712 0.294E+01
DAV: 5 -0.982680482145E+02 -0.98865E-01 -0.98827E-01 704 0.381E+00 0.220E+01
DAV: 6 -0.898561965697E+02 0.84119E+01 -0.30223E+01 690 0.300E+01 0.114E+01
DAV: 7 -0.890477109580E+02 0.80849E+00 -0.16921E+00 712 0.667E+00 0.476E+00
DAV: 8 -0.886707649395E+02 0.37695E+00 -0.60474E-01 712 0.436E+00 0.166E+00
DAV: 9 -0.885817751735E+02 0.88990E-01 -0.13457E-01 720 0.189E+00 0.495E-01
DAV: 10 -0.885721968468E+02 0.95783E-02 -0.21885E-02 736 0.889E-01 0.325E-01
DAV: 11 -0.885716999800E+02 0.49687E-03 -0.10527E-02 656 0.568E-01 0.178E-01
DAV: 12 -0.885745284864E+02 -0.28285E-02 -0.38960E-03 596 0.317E-01 0.122E-01
DAV: 13 -0.885781656121E+02 -0.36371E-02 -0.14534E-03 634 0.251E-01 0.706E-02
DAV: 14 -0.885820616302E+02 -0.38960E-02 -0.14260E-03 656 0.187E-01 0.674E-02
DAV: 15 -0.885849989982E+02 -0.29374E-02 -0.95819E-04 741 0.251E-01 0.461E-02
DAV: 16 -0.885863580194E+02 -0.13590E-02 -0.32383E-04 677 0.111E-01 0.360E-02
DAV: 17 -0.885873712757E+02 -0.10133E-02 -0.17937E-04 735 0.722E-02 0.191E-02
DAV: 18 -0.885881206807E+02 -0.74940E-03 -0.12588E-04 730 0.670E-02 0.101E-02
DAV: 19 -0.885884843846E+02 -0.36370E-03 -0.28172E-05 594 0.267E-02 0.872E-03
DAV: 20 -0.885886390800E+02 -0.15470E-03 -0.22767E-05 549 0.244E-02 0.520E-03
DAV: 21 -0.885886781322E+02 -0.39052E-04 -0.48682E-06 496 0.118E-02 0.397E-03
DAV: 22 -0.885887148809E+02 -0.36749E-04 -0.54927E-06 412 0.118E-02 0.181E-03
DAV: 23 -0.885887221118E+02 -0.72309E-05 -0.23165E-06 472 0.724E-03
1 F= -.88588722E+02 E0= -.88597209E+02 d E =0.254615E-01