./iterations/neb0_image07_iter66_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 0.378605751677E+03 0.37861E+03 -0.14287E+04 624 0.799E+02
DAV: 2 0.443091413766E+01 -0.37417E+03 -0.36085E+03 869 0.196E+02
DAV: 3 -0.964235098774E+02 -0.10085E+03 -0.10053E+03 672 0.117E+02
DAV: 4 -0.100904498465E+03 -0.44810E+01 -0.44705E+01 704 0.284E+01
DAV: 5 -0.100992267644E+03 -0.87769E-01 -0.87732E-01 720 0.358E+00 0.228E+01
DAV: 6 -0.923347079116E+02 0.86576E+01 -0.30668E+01 701 0.302E+01 0.120E+01
DAV: 7 -0.914458114452E+02 0.88890E+00 -0.16756E+00 736 0.615E+00 0.483E+00
DAV: 8 -0.910597824869E+02 0.38603E+00 -0.56700E-01 696 0.411E+00 0.163E+00
DAV: 9 -0.909748134672E+02 0.84969E-01 -0.13267E-01 712 0.156E+00 0.430E-01
DAV: 10 -0.909647684786E+02 0.10045E-01 -0.48738E-02 736 0.113E+00 0.314E-01
DAV: 11 -0.909691440169E+02 -0.43755E-02 -0.12452E-02 613 0.588E-01 0.140E-01
DAV: 12 -0.909723296454E+02 -0.31856E-02 -0.36865E-03 608 0.283E-01 0.141E-01
DAV: 13 -0.909760246192E+02 -0.36950E-02 -0.21821E-03 728 0.295E-01 0.530E-02
DAV: 14 -0.909786081499E+02 -0.25835E-02 -0.63722E-04 656 0.117E-01 0.527E-02
DAV: 15 -0.909813834818E+02 -0.27753E-02 -0.29597E-04 634 0.816E-02 0.356E-02
DAV: 16 -0.909825855768E+02 -0.12021E-02 -0.37873E-04 677 0.972E-02 0.250E-02
DAV: 17 -0.909831873153E+02 -0.60174E-03 -0.10684E-04 653 0.617E-02 0.108E-02
DAV: 18 -0.909833455567E+02 -0.15824E-03 -0.25495E-05 600 0.251E-02 0.717E-03
DAV: 19 -0.909834097790E+02 -0.64222E-04 -0.90300E-06 442 0.210E-02 0.264E-03
DAV: 20 -0.909834444741E+02 -0.34695E-04 -0.50640E-06 464 0.114E-02 0.297E-03
DAV: 21 -0.909834637992E+02 -0.19325E-04 -0.20338E-06 426 0.592E-03 0.210E-03
DAV: 22 -0.909834706251E+02 -0.68260E-05 -0.25538E-06 447 0.103E-02
1 F= -.90983471E+02 E0= -.90988607E+02 d E =0.154091E-01