./iterations/neb0_image09_iter188_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 0.374305809324E+03 0.37431E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.324880104058E+01 -0.37106E+03 -0.35833E+03 869 0.196E+02
DAV: 3 -0.967435543527E+02 -0.99992E+02 -0.99662E+02 661 0.117E+02
DAV: 4 -0.101273292265E+03 -0.45297E+01 -0.45193E+01 720 0.287E+01
DAV: 5 -0.101361901435E+03 -0.88609E-01 -0.88569E-01 728 0.364E+00 0.227E+01
DAV: 6 -0.926827058071E+02 0.86792E+01 -0.30962E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.918101527026E+02 0.87255E+00 -0.17216E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.914341226034E+02 0.37603E+00 -0.54374E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913528192591E+02 0.81303E-01 -0.13124E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913445675326E+02 0.82517E-02 -0.44413E-02 776 0.111E+00 0.299E-01
DAV: 11 -0.913489433307E+02 -0.43758E-02 -0.11814E-02 624 0.567E-01 0.131E-01
DAV: 12 -0.913521777798E+02 -0.32344E-02 -0.29404E-03 615 0.242E-01 0.113E-01
DAV: 13 -0.913557667533E+02 -0.35890E-02 -0.14055E-03 725 0.209E-01 0.413E-02
DAV: 14 -0.913588458595E+02 -0.30791E-02 -0.54269E-04 664 0.122E-01 0.368E-02
DAV: 15 -0.913605068405E+02 -0.16610E-02 -0.14871E-04 664 0.775E-02 0.327E-02
DAV: 16 -0.913618244442E+02 -0.13176E-02 -0.33851E-04 664 0.894E-02 0.209E-02
DAV: 17 -0.913621368244E+02 -0.31238E-03 -0.83447E-05 752 0.662E-02 0.121E-02
DAV: 18 -0.913623765378E+02 -0.23971E-03 -0.39730E-05 626 0.266E-02 0.111E-02
DAV: 19 -0.913624380540E+02 -0.61516E-04 -0.89373E-06 496 0.182E-02 0.530E-03
DAV: 20 -0.913624739091E+02 -0.35855E-04 -0.16448E-05 448 0.254E-02 0.433E-03
DAV: 21 -0.913624854115E+02 -0.11502E-04 -0.30979E-06 488 0.104E-02 0.379E-03
DAV: 22 -0.913624897717E+02 -0.43602E-05 -0.15887E-06 445 0.781E-03
1 F= -.91362490E+02 E0= -.91367326E+02 d E =0.145096E-01