iterations/neb0_image05_iter74_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 0.373266746616E+03 0.37327E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.392947793937E+01 -0.36934E+03 -0.35741E+03 877 0.195E+02
DAV: 3 -0.939071689768E+02 -0.97837E+02 -0.97481E+02 637 0.116E+02
DAV: 4 -0.985756601969E+02 -0.46685E+01 -0.46565E+01 696 0.297E+01
DAV: 5 -0.986774257611E+02 -0.10177E+00 -0.10172E+00 736 0.390E+00 0.218E+01
DAV: 6 -0.904269504484E+02 0.82505E+01 -0.28750E+01 677 0.288E+01 0.112E+01
DAV: 7 -0.895877065339E+02 0.83924E+00 -0.17738E+00 728 0.658E+00 0.467E+00
DAV: 8 -0.892077827439E+02 0.37992E+00 -0.59296E-01 704 0.432E+00 0.155E+00
DAV: 9 -0.891253239346E+02 0.82459E-01 -0.12390E-01 720 0.159E+00 0.432E-01
DAV: 10 -0.891146145818E+02 0.10709E-01 -0.48814E-02 717 0.118E+00 0.332E-01
DAV: 11 -0.891169455606E+02 -0.23310E-02 -0.10263E-02 629 0.583E-01 0.116E-01
DAV: 12 -0.891191744063E+02 -0.22288E-02 -0.33271E-03 644 0.290E-01 0.119E-01
DAV: 13 -0.891245489312E+02 -0.53745E-02 -0.20043E-03 831 0.310E-01 0.672E-02
DAV: 14 -0.891268106748E+02 -0.22617E-02 -0.66902E-04 677 0.124E-01 0.473E-02
DAV: 15 -0.891297196504E+02 -0.29090E-02 -0.75130E-04 698 0.157E-01 0.320E-02
DAV: 16 -0.891307268036E+02 -0.10072E-02 -0.98645E-05 712 0.615E-02 0.213E-02
DAV: 17 -0.891318088014E+02 -0.10820E-02 -0.18867E-04 660 0.679E-02 0.101E-02
DAV: 18 -0.891321855509E+02 -0.37675E-03 -0.34538E-05 629 0.329E-02 0.586E-03
DAV: 19 -0.891323046919E+02 -0.11914E-03 -0.11905E-05 456 0.181E-02 0.339E-03
DAV: 20 -0.891323917736E+02 -0.87082E-04 -0.14368E-05 480 0.178E-02 0.343E-03
DAV: 21 -0.891324055851E+02 -0.13812E-04 -0.18567E-06 493 0.749E-03 0.284E-03
DAV: 22 -0.891324110974E+02 -0.55123E-05 -0.23925E-06 432 0.103E-02
1 F= -.89132411E+02 E0= -.89136327E+02 d E =0.117468E-01