iterations/neb0_image03_iter45_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 0.368278457014E+03 0.36828E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.406691090800E+01 -0.36421E+03 -0.35097E+03 845 0.195E+02
DAV: 3 -0.952055483575E+02 -0.99272E+02 -0.98935E+02 648 0.116E+02
DAV: 4 -0.100009999599E+03 -0.48045E+01 -0.47943E+01 704 0.297E+01
DAV: 5 -0.100104438676E+03 -0.94439E-01 -0.94398E-01 736 0.377E+00 0.223E+01
DAV: 6 -0.915244588407E+02 0.85800E+01 -0.30421E+01 688 0.295E+01 0.117E+01
DAV: 7 -0.906678433301E+02 0.85662E+00 -0.18189E+00 696 0.639E+00 0.482E+00
DAV: 8 -0.902648350513E+02 0.40301E+00 -0.56885E-01 696 0.429E+00 0.165E+00
DAV: 9 -0.901711619730E+02 0.93673E-01 -0.13853E-01 696 0.167E+00 0.438E-01
DAV: 10 -0.901630802146E+02 0.80818E-02 -0.47548E-02 720 0.124E+00 0.336E-01
DAV: 11 -0.901663833533E+02 -0.33031E-02 -0.74471E-03 608 0.527E-01 0.129E-01
DAV: 12 -0.901694083397E+02 -0.30250E-02 -0.62659E-03 631 0.379E-01 0.130E-01
DAV: 13 -0.901729376144E+02 -0.35293E-02 -0.17148E-03 832 0.365E-01 0.827E-02
DAV: 14 -0.901761399243E+02 -0.32023E-02 -0.10926E-03 650 0.150E-01 0.583E-02
DAV: 15 -0.901787926684E+02 -0.26527E-02 -0.48983E-04 712 0.124E-01 0.338E-02
DAV: 16 -0.901803988380E+02 -0.16062E-02 -0.43261E-04 669 0.113E-01 0.302E-02
DAV: 17 -0.901811363477E+02 -0.73751E-03 -0.83779E-05 677 0.586E-02 0.167E-02
DAV: 18 -0.901816108583E+02 -0.47451E-03 -0.12956E-04 642 0.594E-02 0.117E-02
DAV: 19 -0.901816565203E+02 -0.45662E-04 -0.56904E-06 520 0.192E-02 0.843E-03
DAV: 20 -0.901817195363E+02 -0.63016E-04 -0.22642E-05 487 0.310E-02 0.447E-03
DAV: 21 -0.901817720850E+02 -0.52549E-04 -0.64779E-06 453 0.142E-02 0.321E-03
DAV: 22 -0.901817878257E+02 -0.15741E-04 -0.38572E-06 464 0.960E-03 0.185E-03
DAV: 23 -0.901817911677E+02 -0.33420E-05 -0.16410E-06 517 0.813E-03
1 F= -.90181791E+02 E0= -.90191954E+02 d E =0.304873E-01