./iterations/neb0_image01_iter22_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 0.365266315989E+03 0.36527E+03 -0.14291E+04 624 0.799E+02
DAV: 2 0.261961286352E+01 -0.36265E+03 -0.35051E+03 847 0.195E+02
DAV: 3 -0.956620158004E+02 -0.98282E+02 -0.97950E+02 677 0.116E+02
DAV: 4 -0.100095655887E+03 -0.44336E+01 -0.44237E+01 696 0.280E+01
DAV: 5 -0.100183791195E+03 -0.88135E-01 -0.88087E-01 720 0.352E+00 0.221E+01
DAV: 6 -0.915885509758E+02 0.85952E+01 -0.31042E+01 696 0.298E+01 0.116E+01
DAV: 7 -0.907834431704E+02 0.80511E+00 -0.18224E+00 712 0.635E+00 0.482E+00
DAV: 8 -0.904043052821E+02 0.37914E+00 -0.56337E-01 712 0.433E+00 0.168E+00
DAV: 9 -0.903199810798E+02 0.84324E-01 -0.13894E-01 720 0.167E+00 0.436E-01
DAV: 10 -0.903143395916E+02 0.56415E-02 -0.43034E-02 712 0.126E+00 0.312E-01
DAV: 11 -0.903178750867E+02 -0.35355E-02 -0.62620E-03 608 0.457E-01 0.163E-01
DAV: 12 -0.903212610629E+02 -0.33860E-02 -0.71461E-03 626 0.512E-01 0.124E-01
DAV: 13 -0.903242565463E+02 -0.29955E-02 -0.12340E-03 776 0.298E-01 0.757E-02
DAV: 14 -0.903270872592E+02 -0.28307E-02 -0.14825E-03 629 0.179E-01 0.545E-02
DAV: 15 -0.903294485103E+02 -0.23613E-02 -0.42186E-04 717 0.131E-01 0.388E-02
DAV: 16 -0.903305027739E+02 -0.10543E-02 -0.41708E-04 680 0.114E-01 0.295E-02
DAV: 17 -0.903314203660E+02 -0.91759E-03 -0.14874E-04 700 0.771E-02 0.184E-02
DAV: 18 -0.903316255516E+02 -0.20519E-03 -0.44505E-05 688 0.334E-02 0.129E-02
DAV: 19 -0.903318373508E+02 -0.21180E-03 -0.37760E-05 578 0.313E-02 0.389E-03
DAV: 20 -0.903318978970E+02 -0.60546E-04 -0.54021E-06 480 0.131E-02 0.378E-03
DAV: 21 -0.903319286967E+02 -0.30800E-04 -0.38874E-06 426 0.107E-02 0.335E-03
DAV: 22 -0.903319363708E+02 -0.76741E-05 -0.11910E-06 520 0.610E-03
1 F= -.90331936E+02 E0= -.90338671E+02 d E =0.202046E-01