iterations/neb0_image09_iter197_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 0.374086564703E+03 0.37409E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.324401553050E+01 -0.37084E+03 -0.35815E+03 869 0.196E+02
DAV: 3 -0.966385040922E+02 -0.99883E+02 -0.99551E+02 653 0.117E+02
DAV: 4 -0.101252343047E+03 -0.46138E+01 -0.46031E+01 720 0.291E+01
DAV: 5 -0.101343409198E+03 -0.91066E-01 -0.91025E-01 728 0.370E+00 0.227E+01
DAV: 6 -0.926743759619E+02 0.86690E+01 -0.30986E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918089152621E+02 0.86546E+00 -0.17166E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914338624201E+02 0.37505E+00 -0.54134E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913519769852E+02 0.81885E-01 -0.13176E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913436650718E+02 0.83119E-02 -0.44034E-02 768 0.109E+00 0.299E-01
DAV: 11 -0.913481290453E+02 -0.44640E-02 -0.12205E-02 608 0.574E-01 0.137E-01
DAV: 12 -0.913512676610E+02 -0.31386E-02 -0.28136E-03 623 0.244E-01 0.104E-01
DAV: 13 -0.913547808791E+02 -0.35132E-02 -0.12805E-03 661 0.190E-01 0.444E-02
DAV: 14 -0.913583227242E+02 -0.35418E-02 -0.79012E-04 656 0.170E-01 0.360E-02
DAV: 15 -0.913593593577E+02 -0.10366E-02 -0.13133E-04 704 0.803E-02 0.333E-02
DAV: 16 -0.913608118254E+02 -0.14525E-02 -0.40437E-04 669 0.110E-01 0.215E-02
DAV: 17 -0.913612102429E+02 -0.39842E-03 -0.71462E-05 744 0.634E-02 0.124E-02
DAV: 18 -0.913614503591E+02 -0.24012E-03 -0.44103E-05 645 0.306E-02 0.100E-02
DAV: 19 -0.913615555369E+02 -0.10518E-03 -0.12004E-05 480 0.184E-02 0.604E-03
DAV: 20 -0.913616015822E+02 -0.46045E-04 -0.91454E-06 440 0.201E-02 0.249E-03
DAV: 21 -0.913616198457E+02 -0.18263E-04 -0.88121E-06 456 0.161E-02 0.419E-03
DAV: 22 -0.913616247906E+02 -0.49449E-05 -0.13955E-06 458 0.838E-03
1 F= -.91361625E+02 E0= -.91366416E+02 d E =0.143738E-01