iterations/neb0_image06_iter37_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 0.374940055832E+03 0.37494E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.448426533989E+01 -0.37046E+03 -0.35743E+03 858 0.195E+02
DAV: 3 -0.953768866199E+02 -0.99861E+02 -0.99525E+02 664 0.117E+02
DAV: 4 -0.997638618370E+02 -0.43870E+01 -0.43750E+01 728 0.285E+01
DAV: 5 -0.998509950711E+02 -0.87133E-01 -0.87108E-01 720 0.359E+00 0.226E+01
DAV: 6 -0.911851193842E+02 0.86659E+01 -0.30676E+01 674 0.306E+01 0.118E+01
DAV: 7 -0.903254186801E+02 0.85970E+00 -0.16868E+00 720 0.638E+00 0.478E+00
DAV: 8 -0.899455251873E+02 0.37989E+00 -0.54190E-01 688 0.412E+00 0.167E+00
DAV: 9 -0.898557019432E+02 0.89823E-01 -0.12724E-01 720 0.165E+00 0.449E-01
DAV: 10 -0.898454169554E+02 0.10285E-01 -0.35387E-02 712 0.933E-01 0.304E-01
DAV: 11 -0.898509738281E+02 -0.55569E-02 -0.21470E-02 669 0.106E+00 0.276E-01
DAV: 12 -0.898503312306E+02 0.64260E-03 -0.54799E-03 728 0.482E-01 0.178E-01
DAV: 13 -0.898533563931E+02 -0.30252E-02 -0.61600E-03 643 0.498E-01 0.113E-01
DAV: 14 -0.898567337536E+02 -0.33774E-02 -0.15161E-03 642 0.189E-01 0.967E-02
DAV: 15 -0.898592730340E+02 -0.25393E-02 -0.61535E-04 672 0.156E-01 0.463E-02
DAV: 16 -0.898617946205E+02 -0.25216E-02 -0.75661E-04 706 0.159E-01 0.353E-02
DAV: 17 -0.898625365767E+02 -0.74196E-03 -0.59274E-05 696 0.564E-02 0.262E-02
DAV: 18 -0.898632688290E+02 -0.73225E-03 -0.14988E-04 643 0.618E-02 0.110E-02
DAV: 19 -0.898634729660E+02 -0.20414E-03 -0.12724E-05 504 0.263E-02 0.677E-03
DAV: 20 -0.898636188301E+02 -0.14586E-03 -0.27610E-05 531 0.267E-02 0.490E-03
DAV: 21 -0.898636363196E+02 -0.17490E-04 -0.18878E-06 512 0.125E-02 0.311E-03
DAV: 22 -0.898636740251E+02 -0.37705E-04 -0.86901E-06 419 0.188E-02 0.383E-03
DAV: 23 -0.898636913602E+02 -0.17335E-04 -0.25575E-06 444 0.914E-03 0.286E-03
DAV: 24 -0.898636934813E+02 -0.21211E-05 -0.11493E-06 520 0.629E-03
1 F= -.89863693E+02 E0= -.89871833E+02 d E =0.244185E-01