./iterations/neb0_image09_iter239_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 0.374170273989E+03 0.37417E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.332159176408E+01 -0.37085E+03 -0.35825E+03 869 0.196E+02
DAV: 3 -0.967458653952E+02 -0.10007E+03 -0.99739E+02 661 0.117E+02
DAV: 4 -0.101272918605E+03 -0.45271E+01 -0.45165E+01 720 0.287E+01
DAV: 5 -0.101361684414E+03 -0.88766E-01 -0.88727E-01 728 0.364E+00 0.227E+01
DAV: 6 -0.926792375537E+02 0.86824E+01 -0.30989E+01 728 0.300E+01 0.119E+01
DAV: 7 -0.918096482778E+02 0.86959E+00 -0.17182E+00 720 0.612E+00 0.480E+00
DAV: 8 -0.914340029727E+02 0.37565E+00 -0.54366E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913532989684E+02 0.80704E-01 -0.13275E-01 712 0.156E+00 0.422E-01
DAV: 10 -0.913452914002E+02 0.80076E-02 -0.43528E-02 768 0.108E+00 0.299E-01
DAV: 11 -0.913496000081E+02 -0.43086E-02 -0.11499E-02 608 0.559E-01 0.130E-01
DAV: 12 -0.913528546562E+02 -0.32546E-02 -0.27614E-03 623 0.243E-01 0.104E-01
DAV: 13 -0.913563105898E+02 -0.34559E-02 -0.11381E-03 661 0.179E-01 0.444E-02
DAV: 14 -0.913597313448E+02 -0.34208E-02 -0.80095E-04 656 0.159E-01 0.376E-02
DAV: 15 -0.913608313084E+02 -0.11000E-02 -0.13475E-04 784 0.834E-02 0.321E-02
DAV: 16 -0.913623560546E+02 -0.15247E-02 -0.32879E-04 642 0.896E-02 0.161E-02
DAV: 17 -0.913627983498E+02 -0.44230E-03 -0.61121E-05 680 0.525E-02 0.122E-02
DAV: 18 -0.913630475011E+02 -0.24915E-03 -0.42868E-05 562 0.287E-02 0.794E-03
DAV: 19 -0.913630921313E+02 -0.44630E-04 -0.64771E-06 512 0.136E-02 0.423E-03
DAV: 20 -0.913631205774E+02 -0.28446E-04 -0.48450E-06 418 0.145E-02 0.142E-03
DAV: 21 -0.913631368315E+02 -0.16254E-04 -0.32566E-06 453 0.852E-03 0.231E-03
DAV: 22 -0.913631391942E+02 -0.23627E-05 -0.50741E-07 501 0.418E-03
1 F= -.91363139E+02 E0= -.91367944E+02 d E =0.144159E-01