iterations/neb0_image03_iter54_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 0.367802913799E+03 0.36780E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.390787951197E+01 -0.36390E+03 -0.35063E+03 845 0.195E+02
DAV: 3 -0.953258134548E+02 -0.99234E+02 -0.98902E+02 656 0.116E+02
DAV: 4 -0.100039896407E+03 -0.47141E+01 -0.47038E+01 704 0.294E+01
DAV: 5 -0.100132481056E+03 -0.92585E-01 -0.92543E-01 736 0.372E+00 0.222E+01
DAV: 6 -0.915510208595E+02 0.85815E+01 -0.30610E+01 688 0.296E+01 0.116E+01
DAV: 7 -0.907057476736E+02 0.84527E+00 -0.18563E+00 704 0.642E+00 0.484E+00
DAV: 8 -0.903006888380E+02 0.40506E+00 -0.57636E-01 696 0.436E+00 0.165E+00
DAV: 9 -0.902060034084E+02 0.94685E-01 -0.14233E-01 712 0.172E+00 0.435E-01
DAV: 10 -0.901979242808E+02 0.80791E-02 -0.49116E-02 704 0.119E+00 0.332E-01
DAV: 11 -0.902018732326E+02 -0.39490E-02 -0.84271E-03 608 0.542E-01 0.120E-01
DAV: 12 -0.902049335310E+02 -0.30603E-02 -0.51263E-03 639 0.336E-01 0.133E-01
DAV: 13 -0.902080709239E+02 -0.31374E-02 -0.17701E-03 824 0.339E-01 0.744E-02
DAV: 14 -0.902114928737E+02 -0.34219E-02 -0.11820E-03 642 0.154E-01 0.566E-02
DAV: 15 -0.902139421093E+02 -0.24492E-02 -0.35250E-04 744 0.105E-01 0.355E-02
DAV: 16 -0.902156125613E+02 -0.16705E-02 -0.57564E-04 677 0.131E-01 0.343E-02
DAV: 17 -0.902162732058E+02 -0.66064E-03 -0.15422E-04 741 0.764E-02 0.169E-02
DAV: 18 -0.902166667486E+02 -0.39354E-03 -0.93476E-05 642 0.479E-02 0.903E-03
DAV: 19 -0.902167494375E+02 -0.82689E-04 -0.52467E-06 504 0.169E-02 0.655E-03
DAV: 20 -0.902168294724E+02 -0.80035E-04 -0.21346E-05 478 0.286E-02 0.509E-03
DAV: 21 -0.902168541011E+02 -0.24629E-04 -0.40059E-06 496 0.139E-02 0.264E-03
DAV: 22 -0.902168661968E+02 -0.12096E-04 -0.36356E-06 432 0.106E-02 0.121E-03
DAV: 23 -0.902168707826E+02 -0.45858E-05 -0.92847E-07 480 0.451E-03
1 F= -.90216871E+02 E0= -.90225723E+02 d E =0.265560E-01