./iterations/neb0_image04_iter272_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 0.367217967502E+03 0.36722E+03 -0.14313E+04 624 0.799E+02
DAV: 2 0.502931967183E+00 -0.36672E+03 -0.35572E+03 858 0.195E+02
DAV: 3 -0.962182548382E+02 -0.96721E+02 -0.96436E+02 661 0.116E+02
DAV: 4 -0.100428864716E+03 -0.42106E+01 -0.42021E+01 712 0.276E+01
DAV: 5 -0.100510049504E+03 -0.81185E-01 -0.81158E-01 736 0.342E+00 0.225E+01
DAV: 6 -0.917092715085E+02 0.88008E+01 -0.31445E+01 677 0.300E+01 0.118E+01
DAV: 7 -0.908387041330E+02 0.87057E+00 -0.18302E+00 720 0.661E+00 0.486E+00
DAV: 8 -0.904236395548E+02 0.41506E+00 -0.54523E-01 712 0.457E+00 0.179E+00
DAV: 9 -0.903314885223E+02 0.92151E-01 -0.17099E-01 712 0.204E+00 0.553E-01
DAV: 10 -0.903191173990E+02 0.12371E-01 -0.35783E-02 712 0.104E+00 0.344E-01
DAV: 11 -0.903208662362E+02 -0.17488E-02 -0.10105E-02 680 0.525E-01 0.199E-01
DAV: 12 -0.903242882365E+02 -0.34220E-02 -0.37903E-03 624 0.375E-01 0.112E-01
DAV: 13 -0.903276492643E+02 -0.33610E-02 -0.11030E-03 642 0.228E-01 0.101E-01
DAV: 14 -0.903312140622E+02 -0.35648E-02 -0.19977E-03 820 0.295E-01 0.652E-02
DAV: 15 -0.903327395072E+02 -0.15254E-02 -0.30775E-04 688 0.131E-01 0.405E-02
DAV: 16 -0.903354136289E+02 -0.26741E-02 -0.98942E-04 702 0.188E-01 0.403E-02
DAV: 17 -0.903360984214E+02 -0.68479E-03 -0.15422E-04 784 0.929E-02 0.222E-02
DAV: 18 -0.903367191800E+02 -0.62076E-03 -0.15807E-04 667 0.705E-02 0.104E-02
DAV: 19 -0.903371466072E+02 -0.42743E-03 -0.51401E-05 628 0.345E-02 0.950E-03
DAV: 20 -0.903372531220E+02 -0.10651E-03 -0.71887E-06 498 0.155E-02 0.605E-03
DAV: 21 -0.903373474539E+02 -0.94332E-04 -0.29348E-05 478 0.301E-02 0.521E-03
DAV: 22 -0.903373556679E+02 -0.82140E-05 -0.29798E-06 520 0.116E-02
1 F= -.90337356E+02 E0= -.90345709E+02 d E =0.250589E-01