./iterations/neb0_image09_iter26_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 0.374654424837E+03 0.37465E+03 -0.14286E+04 624 0.799E+02
DAV: 2 0.199437190073E+01 -0.37266E+03 -0.36012E+03 885 0.196E+02
DAV: 3 -0.969087157782E+02 -0.98903E+02 -0.98580E+02 672 0.116E+02
DAV: 4 -0.101264045677E+03 -0.43553E+01 -0.43457E+01 704 0.279E+01
DAV: 5 -0.101348219409E+03 -0.84174E-01 -0.84133E-01 736 0.351E+00 0.228E+01
DAV: 6 -0.926259868142E+02 0.87222E+01 -0.30933E+01 709 0.300E+01 0.120E+01
DAV: 7 -0.917269251456E+02 0.89906E+00 -0.16979E+00 728 0.611E+00 0.479E+00
DAV: 8 -0.913471583101E+02 0.37977E+00 -0.53292E-01 712 0.392E+00 0.166E+00
DAV: 9 -0.912636609745E+02 0.83497E-01 -0.13798E-01 712 0.159E+00 0.432E-01
DAV: 10 -0.912550976574E+02 0.85633E-02 -0.43046E-02 776 0.111E+00 0.295E-01
DAV: 11 -0.912589891292E+02 -0.38915E-02 -0.11324E-02 621 0.563E-01 0.129E-01
DAV: 12 -0.912621802554E+02 -0.31911E-02 -0.25338E-03 623 0.239E-01 0.116E-01
DAV: 13 -0.912661661071E+02 -0.39859E-02 -0.20271E-03 661 0.238E-01 0.443E-02
DAV: 14 -0.912690773308E+02 -0.29112E-02 -0.50822E-04 680 0.140E-01 0.274E-02
DAV: 15 -0.912710933039E+02 -0.20160E-02 -0.22139E-04 648 0.723E-02 0.307E-02
DAV: 16 -0.912721442097E+02 -0.10509E-02 -0.18790E-04 680 0.758E-02 0.115E-02
DAV: 17 -0.912727605530E+02 -0.61634E-03 -0.55401E-05 578 0.361E-02 0.138E-02
DAV: 18 -0.912729419548E+02 -0.18140E-03 -0.34049E-05 656 0.372E-02 0.806E-03
DAV: 19 -0.912730359259E+02 -0.93971E-04 -0.10631E-05 434 0.222E-02 0.321E-03
DAV: 20 -0.912730668996E+02 -0.30974E-04 -0.57544E-06 504 0.116E-02 0.220E-03
DAV: 21 -0.912730932452E+02 -0.26346E-04 -0.27987E-06 407 0.687E-03 0.119E-03
DAV: 22 -0.912730995430E+02 -0.62978E-05 -0.12898E-06 480 0.572E-03
1 F= -.91273100E+02 E0= -.91277624E+02 d E =0.135735E-01