iterations/neb0_image06_iter96_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 0.374750356609E+03 0.37475E+03 -0.14305E+04 632 0.799E+02
DAV: 2 0.355064985605E+01 -0.37120E+03 -0.35909E+03 877 0.195E+02
DAV: 3 -0.955924320051E+02 -0.99143E+02 -0.98819E+02 656 0.116E+02
DAV: 4 -0.100171729831E+03 -0.45793E+01 -0.45683E+01 704 0.289E+01
DAV: 5 -0.100265831134E+03 -0.94101E-01 -0.94061E-01 744 0.368E+00 0.225E+01
DAV: 6 -0.916692091679E+02 0.85966E+01 -0.30957E+01 698 0.306E+01 0.117E+01
DAV: 7 -0.908478541580E+02 0.82136E+00 -0.17088E+00 720 0.628E+00 0.481E+00
DAV: 8 -0.904667319232E+02 0.38112E+00 -0.53527E-01 712 0.409E+00 0.166E+00
DAV: 9 -0.903754145021E+02 0.91317E-01 -0.13063E-01 728 0.160E+00 0.420E-01
DAV: 10 -0.903651185442E+02 0.10296E-01 -0.46828E-02 720 0.110E+00 0.309E-01
DAV: 11 -0.903697167289E+02 -0.45982E-02 -0.12831E-02 621 0.619E-01 0.163E-01
DAV: 12 -0.903718729046E+02 -0.21562E-02 -0.24897E-03 652 0.247E-01 0.128E-01
DAV: 13 -0.903766131309E+02 -0.47402E-02 -0.35953E-03 650 0.364E-01 0.701E-02
DAV: 14 -0.903783416215E+02 -0.17285E-02 -0.41861E-04 704 0.128E-01 0.520E-02
DAV: 15 -0.903816784790E+02 -0.33369E-02 -0.86964E-04 671 0.167E-01 0.346E-02
DAV: 16 -0.903823900312E+02 -0.71155E-03 -0.12332E-04 733 0.642E-02 0.284E-02
DAV: 17 -0.903828821600E+02 -0.49213E-03 -0.93648E-05 663 0.591E-02 0.131E-02
DAV: 18 -0.903835721016E+02 -0.68994E-03 -0.10211E-04 636 0.447E-02 0.806E-03
DAV: 19 -0.903836442463E+02 -0.72145E-04 -0.50487E-06 520 0.154E-02 0.705E-03
DAV: 20 -0.903837339814E+02 -0.89735E-04 -0.14556E-05 421 0.200E-02 0.554E-03
DAV: 21 -0.903837456195E+02 -0.11638E-04 -0.33647E-06 517 0.119E-02 0.319E-03
DAV: 22 -0.903837618840E+02 -0.16264E-04 -0.54413E-06 397 0.153E-02 0.199E-03
DAV: 23 -0.903837672961E+02 -0.54122E-05 -0.18994E-06 464 0.742E-03
1 F= -.90383767E+02 E0= -.90387975E+02 d E =0.126246E-01