./iterations/neb0_image07_iter81_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 0.377714874062E+03 0.37771E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.362916679672E+01 -0.37409E+03 -0.36192E+03 877 0.196E+02
DAV: 3 -0.964636154112E+02 -0.10009E+03 -0.99769E+02 672 0.117E+02
DAV: 4 -0.100896103603E+03 -0.44325E+01 -0.44220E+01 696 0.283E+01
DAV: 5 -0.100983933221E+03 -0.87830E-01 -0.87792E-01 728 0.358E+00 0.227E+01
DAV: 6 -0.923565499127E+02 0.86274E+01 -0.30698E+01 709 0.303E+01 0.119E+01
DAV: 7 -0.914840095596E+02 0.87254E+00 -0.16714E+00 720 0.614E+00 0.482E+00
DAV: 8 -0.911009339535E+02 0.38308E+00 -0.56145E-01 704 0.405E+00 0.163E+00
DAV: 9 -0.910163603910E+02 0.84574E-01 -0.13345E-01 712 0.156E+00 0.427E-01
DAV: 10 -0.910067390709E+02 0.96213E-02 -0.47907E-02 712 0.113E+00 0.310E-01
DAV: 11 -0.910112221061E+02 -0.44830E-02 -0.11976E-02 608 0.576E-01 0.136E-01
DAV: 12 -0.910145188347E+02 -0.32967E-02 -0.39296E-03 624 0.295E-01 0.151E-01
DAV: 13 -0.910180522321E+02 -0.35334E-02 -0.27157E-03 728 0.330E-01 0.548E-02
DAV: 14 -0.910206248707E+02 -0.25726E-02 -0.68974E-04 656 0.124E-01 0.596E-02
DAV: 15 -0.910231978535E+02 -0.25730E-02 -0.27837E-04 650 0.819E-02 0.379E-02
DAV: 16 -0.910245046224E+02 -0.13068E-02 -0.50025E-04 669 0.112E-01 0.308E-02
DAV: 17 -0.910250474295E+02 -0.54281E-03 -0.13711E-04 664 0.744E-02 0.104E-02
DAV: 18 -0.910252086944E+02 -0.16126E-03 -0.31479E-05 608 0.280E-02 0.749E-03
DAV: 19 -0.910252766651E+02 -0.67971E-04 -0.98186E-06 456 0.218E-02 0.233E-03
DAV: 20 -0.910253261585E+02 -0.49493E-04 -0.94157E-06 409 0.152E-02 0.414E-03
DAV: 21 -0.910253345387E+02 -0.83802E-05 -0.11854E-06 520 0.662E-03
1 F= -.91025335E+02 E0= -.91030392E+02 d E =0.151735E-01