./iterations/neb0_image07_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 0.368268245528E+03 0.36827E+03 -0.14277E+04 632 0.799E+02
DAV: 2 0.303768915626E+01 -0.36523E+03 -0.35248E+03 861 0.194E+02
DAV: 3 -0.953322821666E+02 -0.98370E+02 -0.98010E+02 645 0.116E+02
DAV: 4 -0.999741558874E+02 -0.46419E+01 -0.46281E+01 720 0.292E+01
DAV: 5 -0.100068512201E+03 -0.94356E-01 -0.94317E-01 720 0.374E+00 0.221E+01
DAV: 6 -0.915416382417E+02 0.85269E+01 -0.30798E+01 704 0.304E+01 0.115E+01
DAV: 7 -0.907500458200E+02 0.79159E+00 -0.16653E+00 712 0.634E+00 0.474E+00
DAV: 8 -0.903861435684E+02 0.36390E+00 -0.55872E-01 696 0.409E+00 0.166E+00
DAV: 9 -0.903009019264E+02 0.85242E-01 -0.12898E-01 717 0.160E+00 0.437E-01
DAV: 10 -0.902912929899E+02 0.96089E-02 -0.31107E-02 728 0.849E-01 0.277E-01
DAV: 11 -0.902960261633E+02 -0.47332E-02 -0.13280E-02 605 0.691E-01 0.197E-01
DAV: 12 -0.902967513836E+02 -0.72522E-03 -0.29285E-03 720 0.347E-01 0.108E-01
DAV: 13 -0.903017044509E+02 -0.49531E-02 -0.48880E-03 649 0.438E-01 0.104E-01
DAV: 14 -0.903029050711E+02 -0.12006E-02 -0.71392E-04 816 0.222E-01 0.625E-02
DAV: 15 -0.903054756736E+02 -0.25706E-02 -0.11305E-03 655 0.202E-01 0.324E-02
DAV: 16 -0.903073566253E+02 -0.18810E-02 -0.18879E-04 677 0.784E-02 0.275E-02
DAV: 17 -0.903084050859E+02 -0.10485E-02 -0.16100E-04 685 0.681E-02 0.905E-03
DAV: 18 -0.903089355422E+02 -0.53046E-03 -0.65867E-05 666 0.393E-02 0.109E-02
DAV: 19 -0.903090412993E+02 -0.10576E-03 -0.64827E-06 488 0.166E-02 0.793E-03
DAV: 20 -0.903091154259E+02 -0.74127E-04 -0.18209E-05 465 0.237E-02 0.277E-03
DAV: 21 -0.903091357744E+02 -0.20349E-04 -0.25689E-06 477 0.910E-03 0.215E-03
DAV: 22 -0.903091506576E+02 -0.14883E-04 -0.22843E-06 398 0.681E-03 0.136E-03
DAV: 23 -0.903091535625E+02 -0.29049E-05 -0.62854E-07 496 0.372E-03
1 F= -.90309154E+02 E0= -.90314667E+02 d E =0.165390E-01