iterations/neb0_image06_iter164_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 0.371094037292E+03 0.37109E+03 -0.14344E+04 640 0.799E+02
DAV: 2 0.353024738063E+01 -0.36756E+03 -0.35588E+03 877 0.193E+02
DAV: 3 -0.960496087438E+02 -0.99580E+02 -0.99251E+02 690 0.116E+02
DAV: 4 -0.100502742419E+03 -0.44531E+01 -0.44409E+01 704 0.276E+01
DAV: 5 -0.100589968377E+03 -0.87226E-01 -0.87178E-01 736 0.347E+00 0.226E+01
DAV: 6 -0.920004779249E+02 0.85895E+01 -0.30850E+01 725 0.304E+01 0.118E+01
DAV: 7 -0.911810979517E+02 0.81938E+00 -0.17242E+00 712 0.627E+00 0.480E+00
DAV: 8 -0.908068497605E+02 0.37425E+00 -0.52691E-01 728 0.400E+00 0.171E+00
DAV: 9 -0.907147775237E+02 0.92072E-01 -0.13331E-01 728 0.159E+00 0.424E-01
DAV: 10 -0.907046750890E+02 0.10102E-01 -0.34360E-02 752 0.927E-01 0.278E-01
DAV: 11 -0.907085666929E+02 -0.38916E-02 -0.88938E-03 610 0.486E-01 0.141E-01
DAV: 12 -0.907112663664E+02 -0.26997E-02 -0.18277E-03 648 0.251E-01 0.830E-02
DAV: 13 -0.907154674751E+02 -0.42011E-02 -0.19196E-03 639 0.209E-01 0.669E-02
DAV: 14 -0.907188825825E+02 -0.34151E-02 -0.14390E-03 757 0.286E-01 0.517E-02
DAV: 15 -0.907204987997E+02 -0.16162E-02 -0.40791E-04 709 0.115E-01 0.476E-02
DAV: 16 -0.907217586330E+02 -0.12598E-02 -0.42648E-04 730 0.128E-01 0.197E-02
DAV: 17 -0.907225856446E+02 -0.82701E-03 -0.17636E-04 709 0.660E-02 0.194E-02
DAV: 18 -0.907228671939E+02 -0.28155E-03 -0.22643E-05 546 0.234E-02 0.136E-02
DAV: 19 -0.907230051208E+02 -0.13793E-03 -0.52505E-05 637 0.435E-02 0.532E-03
DAV: 20 -0.907230258213E+02 -0.20700E-04 -0.61814E-06 512 0.162E-02 0.440E-03
DAV: 21 -0.907230560993E+02 -0.30278E-04 -0.58237E-06 406 0.125E-02 0.256E-03
DAV: 22 -0.907230604404E+02 -0.43411E-05 -0.11184E-06 512 0.689E-03
1 F= -.90723060E+02 E0= -.90728207E+02 d E =0.154400E-01