iterations/neb0_image04_iter294_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 0.364828373133E+03 0.36483E+03 -0.14301E+04 624 0.799E+02
DAV: 2 -0.266848372411E+00 -0.36510E+03 -0.35447E+03 877 0.195E+02
DAV: 3 -0.960342386265E+02 -0.95767E+02 -0.95472E+02 656 0.115E+02
DAV: 4 -0.100294309847E+03 -0.42601E+01 -0.42526E+01 720 0.279E+01
DAV: 5 -0.100377736923E+03 -0.83427E-01 -0.83402E-01 728 0.350E+00 0.223E+01
DAV: 6 -0.916671935989E+02 0.87105E+01 -0.31511E+01 672 0.300E+01 0.117E+01
DAV: 7 -0.908362403110E+02 0.83095E+00 -0.18109E+00 720 0.658E+00 0.485E+00
DAV: 8 -0.904276149113E+02 0.40863E+00 -0.53766E-01 704 0.445E+00 0.178E+00
DAV: 9 -0.903337038441E+02 0.93911E-01 -0.18520E-01 712 0.195E+00 0.545E-01
DAV: 10 -0.903257234385E+02 0.79804E-02 -0.47798E-02 808 0.162E+00 0.407E-01
DAV: 11 -0.903250529312E+02 0.67051E-03 -0.69681E-03 712 0.691E-01 0.235E-01
DAV: 12 -0.903275632581E+02 -0.25103E-02 -0.83785E-03 605 0.442E-01 0.106E-01
DAV: 13 -0.903314002551E+02 -0.38370E-02 -0.18098E-03 623 0.207E-01 0.978E-02
DAV: 14 -0.903359614819E+02 -0.45612E-02 -0.19291E-03 700 0.257E-01 0.560E-02
DAV: 15 -0.903384767353E+02 -0.25153E-02 -0.33030E-04 664 0.117E-01 0.351E-02
DAV: 16 -0.903404586484E+02 -0.19819E-02 -0.47779E-04 658 0.104E-01 0.215E-02
DAV: 17 -0.903411099731E+02 -0.65132E-03 -0.58157E-05 680 0.611E-02 0.159E-02
DAV: 18 -0.903417147893E+02 -0.60482E-03 -0.12638E-04 635 0.535E-02 0.124E-02
DAV: 19 -0.903417838578E+02 -0.69069E-04 -0.88343E-06 520 0.290E-02 0.698E-03
DAV: 20 -0.903418884926E+02 -0.10463E-03 -0.54003E-05 609 0.419E-02 0.114E-02
DAV: 21 -0.903419217325E+02 -0.33240E-04 -0.98260E-06 490 0.284E-02 0.545E-03
DAV: 22 -0.903419367658E+02 -0.15033E-04 -0.71075E-06 474 0.132E-02 0.275E-03
DAV: 23 -0.903419446931E+02 -0.79273E-05 -0.32454E-06 440 0.119E-02
1 F= -.90341945E+02 E0= -.90350416E+02 d E =0.254128E-01