iterations/neb0_image07_iter147_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 0.371888235173E+03 0.37189E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.360751891648E+01 -0.36828E+03 -0.35590E+03 869 0.194E+02
DAV: 3 -0.962606027298E+02 -0.99868E+02 -0.99542E+02 672 0.116E+02
DAV: 4 -0.101021555396E+03 -0.47610E+01 -0.47475E+01 720 0.288E+01
DAV: 5 -0.101119827351E+03 -0.98272E-01 -0.98207E-01 728 0.369E+00 0.227E+01
DAV: 6 -0.925082563330E+02 0.86116E+01 -0.30496E+01 704 0.299E+01 0.119E+01
DAV: 7 -0.916455830020E+02 0.86267E+00 -0.17095E+00 720 0.617E+00 0.479E+00
DAV: 8 -0.912700340475E+02 0.37555E+00 -0.54289E-01 720 0.400E+00 0.163E+00
DAV: 9 -0.911879735206E+02 0.82061E-01 -0.12790E-01 720 0.156E+00 0.426E-01
DAV: 10 -0.911788294281E+02 0.91441E-02 -0.39536E-02 757 0.103E+00 0.287E-01
DAV: 11 -0.911832334824E+02 -0.44041E-02 -0.10882E-02 608 0.550E-01 0.142E-01
DAV: 12 -0.911858620128E+02 -0.26285E-02 -0.22697E-03 626 0.251E-01 0.893E-02
DAV: 13 -0.911897508022E+02 -0.38888E-02 -0.15743E-03 636 0.191E-01 0.523E-02
DAV: 14 -0.911926646279E+02 -0.29138E-02 -0.61757E-04 760 0.194E-01 0.387E-02
DAV: 15 -0.911945759404E+02 -0.19113E-02 -0.41601E-04 661 0.109E-01 0.336E-02
DAV: 16 -0.911957075807E+02 -0.11316E-02 -0.15223E-04 685 0.661E-02 0.129E-02
DAV: 17 -0.911965716884E+02 -0.86411E-03 -0.11351E-04 650 0.497E-02 0.141E-02
DAV: 18 -0.911968148350E+02 -0.24315E-03 -0.26946E-05 560 0.349E-02 0.511E-03
DAV: 19 -0.911969263304E+02 -0.11150E-03 -0.25671E-05 496 0.269E-02 0.677E-03
DAV: 20 -0.911969470145E+02 -0.20684E-04 -0.30310E-06 496 0.164E-02 0.347E-03
DAV: 21 -0.911969695922E+02 -0.22578E-04 -0.10921E-05 407 0.206E-02 0.370E-03
DAV: 22 -0.911969746347E+02 -0.50425E-05 -0.19252E-06 472 0.146E-02
1 F= -.91196975E+02 E0= -.91201806E+02 d E =0.144950E-01