iterations/neb0_image02_iter289_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 0.366024896269E+03 0.36602E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.109668289500E+01 -0.36493E+03 -0.35322E+03 869 0.196E+02
DAV: 3 -0.955965115905E+02 -0.96693E+02 -0.96361E+02 632 0.115E+02
DAV: 4 -0.100275345262E+03 -0.46788E+01 -0.46680E+01 704 0.296E+01
DAV: 5 -0.100368064846E+03 -0.92720E-01 -0.92682E-01 720 0.375E+00 0.223E+01
DAV: 6 -0.916773035176E+02 0.86908E+01 -0.30937E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908485457336E+02 0.82876E+00 -0.18123E+00 712 0.634E+00 0.485E+00
DAV: 8 -0.904691418544E+02 0.37940E+00 -0.55199E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.903861984524E+02 0.82943E-01 -0.13408E-01 720 0.167E+00 0.426E-01
DAV: 10 -0.903823624164E+02 0.38360E-02 -0.48394E-02 712 0.126E+00 0.326E-01
DAV: 11 -0.903862178427E+02 -0.38554E-02 -0.80337E-03 621 0.588E-01 0.117E-01
DAV: 12 -0.903894804210E+02 -0.32626E-02 -0.68450E-03 632 0.432E-01 0.139E-01
DAV: 13 -0.903917941892E+02 -0.23138E-02 -0.20904E-03 864 0.343E-01 0.784E-02
DAV: 14 -0.903949021876E+02 -0.31080E-02 -0.13892E-03 623 0.184E-01 0.733E-02
DAV: 15 -0.903964626976E+02 -0.15605E-02 -0.26271E-04 688 0.978E-02 0.587E-02
DAV: 16 -0.903978320923E+02 -0.13694E-02 -0.10725E-03 648 0.199E-01 0.352E-02
DAV: 17 -0.903985042256E+02 -0.67213E-03 -0.11922E-04 688 0.698E-02 0.335E-02
DAV: 18 -0.903988390802E+02 -0.33485E-03 -0.88079E-05 650 0.479E-02 0.172E-02
DAV: 19 -0.903989898286E+02 -0.15075E-03 -0.76859E-05 664 0.477E-02 0.861E-03
DAV: 20 -0.903990243112E+02 -0.34483E-04 -0.52568E-06 488 0.153E-02 0.776E-03
DAV: 21 -0.903990619021E+02 -0.37591E-04 -0.98540E-06 418 0.180E-02 0.349E-03
DAV: 22 -0.903990664391E+02 -0.45369E-05 -0.48385E-06 504 0.135E-02
1 F= -.90399066E+02 E0= -.90404594E+02 d E =0.165817E-01