./iterations/neb0_image03_iter217_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 0.364131158388E+03 0.36413E+03 -0.14327E+04 632 0.799E+02
DAV: 2 -0.881299589614E-01 -0.36422E+03 -0.35437E+03 855 0.195E+02
DAV: 3 -0.960623831132E+02 -0.95974E+02 -0.95664E+02 664 0.115E+02
DAV: 4 -0.100315997640E+03 -0.42536E+01 -0.42425E+01 704 0.277E+01
DAV: 5 -0.100399957141E+03 -0.83960E-01 -0.83923E-01 736 0.350E+00 0.223E+01
DAV: 6 -0.917395747956E+02 0.86604E+01 -0.31069E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908896853557E+02 0.84989E+00 -0.18103E+00 712 0.634E+00 0.484E+00
DAV: 8 -0.904936428788E+02 0.39604E+00 -0.56347E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.903991980683E+02 0.94445E-01 -0.13195E-01 720 0.170E+00 0.438E-01
DAV: 10 -0.903915744974E+02 0.76236E-02 -0.50281E-02 720 0.125E+00 0.342E-01
DAV: 11 -0.903959252610E+02 -0.43508E-02 -0.95895E-03 624 0.658E-01 0.122E-01
DAV: 12 -0.903988172299E+02 -0.28920E-02 -0.52294E-03 621 0.333E-01 0.122E-01
DAV: 13 -0.904029269974E+02 -0.41098E-02 -0.20177E-03 901 0.344E-01 0.855E-02
DAV: 14 -0.904060491043E+02 -0.31221E-02 -0.10909E-03 661 0.158E-01 0.598E-02
DAV: 15 -0.904081798050E+02 -0.21307E-02 -0.34364E-04 656 0.998E-02 0.265E-02
DAV: 16 -0.904099507600E+02 -0.17710E-02 -0.33153E-04 658 0.914E-02 0.246E-02
DAV: 17 -0.904106719903E+02 -0.72123E-03 -0.10910E-04 800 0.696E-02 0.112E-02
DAV: 18 -0.904110732121E+02 -0.40122E-03 -0.81800E-05 642 0.458E-02 0.114E-02
DAV: 19 -0.904111299302E+02 -0.56718E-04 -0.59951E-06 512 0.200E-02 0.645E-03
DAV: 20 -0.904112122541E+02 -0.82324E-04 -0.34970E-05 562 0.338E-02 0.775E-03
DAV: 21 -0.904112405523E+02 -0.28298E-04 -0.38661E-06 480 0.159E-02 0.492E-03
DAV: 22 -0.904112562449E+02 -0.15693E-04 -0.66701E-06 418 0.144E-02 0.815E-04
DAV: 23 -0.904112613310E+02 -0.50861E-05 -0.14791E-06 480 0.622E-03
1 F= -.90411261E+02 E0= -.90418191E+02 d E =0.207885E-01