iterations/neb0_image01_iter142_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 0.365563647959E+03 0.36556E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.323344458874E+01 -0.36233E+03 -0.34939E+03 836 0.195E+02
DAV: 3 -0.956238902843E+02 -0.98857E+02 -0.98509E+02 666 0.116E+02
DAV: 4 -0.100193740887E+03 -0.45699E+01 -0.45589E+01 712 0.287E+01
DAV: 5 -0.100284212903E+03 -0.90472E-01 -0.90428E-01 744 0.361E+00 0.222E+01
DAV: 6 -0.916706142551E+02 0.86136E+01 -0.31170E+01 685 0.299E+01 0.116E+01
DAV: 7 -0.908769233951E+02 0.79369E+00 -0.18249E+00 712 0.639E+00 0.484E+00
DAV: 8 -0.905012281268E+02 0.37570E+00 -0.55156E-01 704 0.427E+00 0.167E+00
DAV: 9 -0.904183520860E+02 0.82876E-01 -0.13465E-01 712 0.165E+00 0.423E-01
DAV: 10 -0.904135743369E+02 0.47777E-02 -0.46735E-02 720 0.124E+00 0.319E-01
DAV: 11 -0.904175399584E+02 -0.39656E-02 -0.71870E-03 608 0.529E-01 0.127E-01
DAV: 12 -0.904210963969E+02 -0.35564E-02 -0.68760E-03 624 0.471E-01 0.133E-01
DAV: 13 -0.904235398690E+02 -0.24435E-02 -0.16025E-03 856 0.313E-01 0.745E-02
DAV: 14 -0.904266028466E+02 -0.30630E-02 -0.14381E-03 631 0.188E-01 0.653E-02
DAV: 15 -0.904283798745E+02 -0.17770E-02 -0.34359E-04 680 0.113E-01 0.529E-02
DAV: 16 -0.904297258947E+02 -0.13460E-02 -0.99131E-04 653 0.192E-01 0.368E-02
DAV: 17 -0.904305319104E+02 -0.80602E-03 -0.13882E-04 666 0.807E-02 0.311E-02
DAV: 18 -0.904308220157E+02 -0.29011E-03 -0.91701E-05 664 0.492E-02 0.142E-02
DAV: 19 -0.904309963325E+02 -0.17432E-03 -0.61750E-05 644 0.413E-02 0.805E-03
DAV: 20 -0.904310228944E+02 -0.26562E-04 -0.51749E-06 512 0.171E-02 0.864E-03
DAV: 21 -0.904310623774E+02 -0.39483E-04 -0.71357E-06 404 0.151E-02 0.629E-03
DAV: 22 -0.904310743347E+02 -0.11957E-04 -0.50022E-06 480 0.159E-02 0.267E-03
DAV: 23 -0.904310767096E+02 -0.23749E-05 -0.37395E-06 520 0.114E-02
1 F= -.90431077E+02 E0= -.90436490E+02 d E =0.162400E-01