iterations/neb0_image07_iter26_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 0.371245336501E+03 0.37125E+03 -0.14295E+04 632 0.799E+02
DAV: 2 0.335035433914E+01 -0.36789E+03 -0.35515E+03 861 0.195E+02
DAV: 3 -0.956100637849E+02 -0.98960E+02 -0.98607E+02 648 0.116E+02
DAV: 4 -0.100230613036E+03 -0.46205E+01 -0.46078E+01 728 0.292E+01
DAV: 5 -0.100322651691E+03 -0.92039E-01 -0.92011E-01 736 0.371E+00 0.224E+01
DAV: 6 -0.917161622310E+02 0.86065E+01 -0.30675E+01 696 0.304E+01 0.117E+01
DAV: 7 -0.908835775837E+02 0.83258E+00 -0.16691E+00 728 0.626E+00 0.476E+00
DAV: 8 -0.905121457321E+02 0.37143E+00 -0.54954E-01 696 0.406E+00 0.165E+00
DAV: 9 -0.904256853485E+02 0.86460E-01 -0.13124E-01 704 0.158E+00 0.430E-01
DAV: 10 -0.904155255130E+02 0.10160E-01 -0.35541E-02 744 0.942E-01 0.283E-01
DAV: 11 -0.904199564337E+02 -0.44309E-02 -0.11364E-02 602 0.586E-01 0.168E-01
DAV: 12 -0.904215643961E+02 -0.16080E-02 -0.20483E-03 672 0.277E-01 0.934E-02
DAV: 13 -0.904264029850E+02 -0.48386E-02 -0.31658E-03 625 0.308E-01 0.760E-02
DAV: 14 -0.904279702014E+02 -0.15672E-02 -0.51139E-04 760 0.201E-01 0.411E-02
DAV: 15 -0.904310186554E+02 -0.30485E-02 -0.91153E-04 612 0.167E-01 0.411E-02
DAV: 16 -0.904319611759E+02 -0.94252E-03 -0.10390E-04 760 0.847E-02 0.251E-02
DAV: 17 -0.904332060453E+02 -0.12449E-02 -0.28923E-04 671 0.977E-02 0.155E-02
DAV: 18 -0.904335774279E+02 -0.37138E-03 -0.36403E-05 688 0.343E-02 0.149E-02
DAV: 19 -0.904337634554E+02 -0.18603E-03 -0.25240E-05 546 0.265E-02 0.728E-03
DAV: 20 -0.904338273053E+02 -0.63850E-04 -0.17047E-05 488 0.266E-02 0.295E-03
DAV: 21 -0.904338655813E+02 -0.38276E-04 -0.59519E-06 417 0.114E-02 0.358E-03
DAV: 22 -0.904338735855E+02 -0.80042E-05 -0.11502E-06 488 0.532E-03
1 F= -.90433874E+02 E0= -.90439345E+02 d E =0.164135E-01