./iterations/neb0_image02_iter270_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 0.365524895724E+03 0.36552E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.141404115181E+01 -0.36411E+03 -0.35265E+03 861 0.195E+02
DAV: 3 -0.955467067693E+02 -0.96961E+02 -0.96628E+02 632 0.116E+02
DAV: 4 -0.100212064787E+03 -0.46654E+01 -0.46548E+01 720 0.298E+01
DAV: 5 -0.100304945200E+03 -0.92880E-01 -0.92851E-01 736 0.377E+00 0.222E+01
DAV: 6 -0.916664697655E+02 0.86385E+01 -0.30936E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908484667483E+02 0.81800E+00 -0.18019E+00 712 0.634E+00 0.485E+00
DAV: 8 -0.904702583971E+02 0.37821E+00 -0.55772E-01 704 0.431E+00 0.169E+00
DAV: 9 -0.903871034345E+02 0.83155E-01 -0.13137E-01 720 0.166E+00 0.425E-01
DAV: 10 -0.903829215503E+02 0.41819E-02 -0.45978E-02 712 0.119E+00 0.324E-01
DAV: 11 -0.903870734575E+02 -0.41519E-02 -0.79911E-03 621 0.634E-01 0.112E-01
DAV: 12 -0.903896243736E+02 -0.25509E-02 -0.50771E-03 640 0.353E-01 0.120E-01
DAV: 13 -0.903926262966E+02 -0.30019E-02 -0.15961E-03 845 0.293E-01 0.828E-02
DAV: 14 -0.903955207168E+02 -0.28944E-02 -0.10061E-03 631 0.144E-01 0.611E-02
DAV: 15 -0.903974383206E+02 -0.19176E-02 -0.35351E-04 688 0.114E-01 0.360E-02
DAV: 16 -0.903988020755E+02 -0.13638E-02 -0.59402E-04 680 0.137E-01 0.350E-02
DAV: 17 -0.903993371855E+02 -0.53511E-03 -0.15703E-04 880 0.865E-02 0.181E-02
DAV: 18 -0.903994085542E+02 -0.71369E-04 -0.31752E-05 688 0.307E-02 0.111E-02
DAV: 19 -0.903996569537E+02 -0.24840E-03 -0.33899E-05 550 0.320E-02 0.582E-03
DAV: 20 -0.903997380925E+02 -0.81139E-04 -0.83987E-06 496 0.155E-02 0.409E-03
DAV: 21 -0.903997915994E+02 -0.53507E-04 -0.70902E-06 434 0.113E-02 0.252E-03
DAV: 22 -0.903998039329E+02 -0.12333E-04 -0.35571E-06 504 0.122E-02 0.306E-03
DAV: 23 -0.903998060223E+02 -0.20895E-05 -0.10060E-06 512 0.592E-03
1 F= -.90399806E+02 E0= -.90407295E+02 d E =0.224663E-01