./iterations/neb0_image07_iter79_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 0.377825053955E+03 0.37783E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.365292858169E+01 -0.37417E+03 -0.36200E+03 877 0.196E+02
DAV: 3 -0.964640384046E+02 -0.10012E+03 -0.99794E+02 672 0.117E+02
DAV: 4 -0.100897690759E+03 -0.44337E+01 -0.44232E+01 696 0.283E+01
DAV: 5 -0.100985513228E+03 -0.87822E-01 -0.87785E-01 728 0.358E+00 0.227E+01
DAV: 6 -0.923554022341E+02 0.86301E+01 -0.30695E+01 701 0.303E+01 0.119E+01
DAV: 7 -0.914818437019E+02 0.87356E+00 -0.16693E+00 720 0.614E+00 0.482E+00
DAV: 8 -0.910985349857E+02 0.38331E+00 -0.56054E-01 696 0.405E+00 0.163E+00
DAV: 9 -0.910140061820E+02 0.84529E-01 -0.13353E-01 712 0.156E+00 0.427E-01
DAV: 10 -0.910043757977E+02 0.96304E-02 -0.48103E-02 704 0.113E+00 0.310E-01
DAV: 11 -0.910088214961E+02 -0.44457E-02 -0.11967E-02 616 0.576E-01 0.135E-01
DAV: 12 -0.910121496800E+02 -0.33282E-02 -0.39950E-03 621 0.299E-01 0.152E-01
DAV: 13 -0.910156401235E+02 -0.34904E-02 -0.26452E-03 728 0.327E-01 0.544E-02
DAV: 14 -0.910182224926E+02 -0.25824E-02 -0.70951E-04 656 0.125E-01 0.595E-02
DAV: 15 -0.910208008509E+02 -0.25784E-02 -0.27253E-04 650 0.811E-02 0.390E-02
DAV: 16 -0.910221350304E+02 -0.13342E-02 -0.52833E-04 669 0.116E-01 0.313E-02
DAV: 17 -0.910226748170E+02 -0.53979E-03 -0.14800E-04 664 0.780E-02 0.103E-02
DAV: 18 -0.910228357657E+02 -0.16095E-03 -0.33402E-05 608 0.290E-02 0.782E-03
DAV: 19 -0.910229045391E+02 -0.68773E-04 -0.10128E-05 456 0.227E-02 0.242E-03
DAV: 20 -0.910229554415E+02 -0.50902E-04 -0.98257E-06 409 0.154E-02 0.410E-03
DAV: 21 -0.910229633359E+02 -0.78945E-05 -0.12589E-06 528 0.607E-03
1 F= -.91022963E+02 E0= -.91028109E+02 d E =0.154362E-01