iterations/neb0_image04_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 0.364120559276E+03 0.36412E+03 -0.14284E+04 632 0.799E+02
DAV: 2 0.505307831046E+01 -0.35907E+03 -0.34653E+03 842 0.193E+02
DAV: 3 -0.939742346573E+02 -0.99027E+02 -0.98617E+02 672 0.115E+02
DAV: 4 -0.986168241151E+02 -0.46426E+01 -0.46286E+01 720 0.287E+01
DAV: 5 -0.987147081175E+02 -0.97884E-01 -0.97835E-01 728 0.367E+00 0.216E+01
DAV: 6 -0.902583909950E+02 0.84563E+01 -0.30822E+01 680 0.299E+01 0.112E+01
DAV: 7 -0.894790085413E+02 0.77938E+00 -0.16506E+00 728 0.634E+00 0.474E+00
DAV: 8 -0.890980494665E+02 0.38096E+00 -0.58295E-01 720 0.435E+00 0.170E+00
DAV: 9 -0.890066773059E+02 0.91372E-01 -0.13465E-01 728 0.167E+00 0.444E-01
DAV: 10 -0.889978075227E+02 0.88698E-02 -0.33502E-02 728 0.866E-01 0.293E-01
DAV: 11 -0.890013351347E+02 -0.35276E-02 -0.75535E-03 605 0.461E-01 0.122E-01
DAV: 12 -0.890034340184E+02 -0.20989E-02 -0.14367E-03 656 0.245E-01 0.965E-02
DAV: 13 -0.890078212468E+02 -0.43872E-02 -0.21677E-03 727 0.300E-01 0.668E-02
DAV: 14 -0.890108906051E+02 -0.30694E-02 -0.60714E-04 684 0.141E-01 0.319E-02
DAV: 15 -0.890133276871E+02 -0.24371E-02 -0.60463E-04 666 0.123E-01 0.397E-02
DAV: 16 -0.890140725764E+02 -0.74489E-03 -0.16964E-04 904 0.107E-01 0.151E-02
DAV: 17 -0.890151065677E+02 -0.10340E-02 -0.18326E-04 677 0.623E-02 0.178E-02
DAV: 18 -0.890153389914E+02 -0.23242E-03 -0.15446E-05 541 0.256E-02 0.125E-02
DAV: 19 -0.890154867959E+02 -0.14780E-03 -0.66623E-05 645 0.496E-02 0.940E-03
DAV: 20 -0.890155480797E+02 -0.61284E-04 -0.13379E-05 546 0.298E-02 0.245E-03
DAV: 21 -0.890155734514E+02 -0.25372E-04 -0.45976E-06 461 0.111E-02 0.194E-03
DAV: 22 -0.890155867063E+02 -0.13255E-04 -0.21676E-06 458 0.691E-03 0.139E-03
DAV: 23 -0.890155908493E+02 -0.41430E-05 -0.58933E-07 469 0.367E-03
1 F= -.89015591E+02 E0= -.89024086E+02 d E =0.254851E-01