iterations/neb0_image07_iter107_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 0.377935316088E+03 0.37794E+03 -0.14287E+04 624 0.799E+02
DAV: 2 0.341784614415E+01 -0.37452E+03 -0.36245E+03 877 0.196E+02
DAV: 3 -0.964452956011E+02 -0.99863E+02 -0.99527E+02 656 0.117E+02
DAV: 4 -0.101040559163E+03 -0.45953E+01 -0.45840E+01 696 0.290E+01
DAV: 5 -0.101132369384E+03 -0.91810E-01 -0.91773E-01 728 0.369E+00 0.228E+01
DAV: 6 -0.924479418364E+02 0.86844E+01 -0.30695E+01 701 0.303E+01 0.120E+01
DAV: 7 -0.915672772288E+02 0.88066E+00 -0.16921E+00 728 0.614E+00 0.482E+00
DAV: 8 -0.911842183468E+02 0.38306E+00 -0.55353E-01 712 0.401E+00 0.163E+00
DAV: 9 -0.910998649894E+02 0.84353E-01 -0.13390E-01 728 0.156E+00 0.425E-01
DAV: 10 -0.910906378074E+02 0.92272E-02 -0.47610E-02 733 0.113E+00 0.310E-01
DAV: 11 -0.910950676196E+02 -0.44298E-02 -0.12427E-02 616 0.585E-01 0.134E-01
DAV: 12 -0.910983570771E+02 -0.32895E-02 -0.35518E-03 616 0.273E-01 0.143E-01
DAV: 13 -0.911021257330E+02 -0.37687E-02 -0.24367E-03 717 0.306E-01 0.530E-02
DAV: 14 -0.911047554578E+02 -0.26297E-02 -0.62481E-04 661 0.115E-01 0.562E-02
DAV: 15 -0.911073635377E+02 -0.26081E-02 -0.31076E-04 637 0.887E-02 0.326E-02
DAV: 16 -0.911083386358E+02 -0.97510E-03 -0.35611E-04 688 0.933E-02 0.284E-02
DAV: 17 -0.911088195055E+02 -0.48087E-03 -0.14212E-04 672 0.768E-02 0.982E-03
DAV: 18 -0.911089989139E+02 -0.17941E-03 -0.26361E-05 560 0.299E-02 0.735E-03
DAV: 19 -0.911090730637E+02 -0.74150E-04 -0.13232E-05 440 0.215E-02 0.192E-03
DAV: 20 -0.911091102465E+02 -0.37183E-04 -0.40476E-06 469 0.942E-03 0.136E-03
DAV: 21 -0.911091299042E+02 -0.19658E-04 -0.21572E-06 415 0.531E-03 0.878E-04
DAV: 22 -0.911091349707E+02 -0.50665E-05 -0.75366E-07 455 0.304E-03
1 F= -.91109135E+02 E0= -.91113842E+02 d E =0.141210E-01