iterations/neb0_image07_iter268_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 0.371362375638E+03 0.37136E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.368383968945E+01 -0.36768E+03 -0.35628E+03 866 0.194E+02
DAV: 3 -0.964750735438E+02 -0.10016E+03 -0.99846E+02 672 0.116E+02
DAV: 4 -0.101178201238E+03 -0.47031E+01 -0.46917E+01 712 0.292E+01
DAV: 5 -0.101270811132E+03 -0.92610E-01 -0.92568E-01 728 0.372E+00 0.227E+01
DAV: 6 -0.926261620032E+02 0.86446E+01 -0.30966E+01 701 0.300E+01 0.119E+01
DAV: 7 -0.917687412053E+02 0.85742E+00 -0.17065E+00 736 0.613E+00 0.480E+00
DAV: 8 -0.913928658530E+02 0.37588E+00 -0.54435E-01 728 0.398E+00 0.162E+00
DAV: 9 -0.913099602499E+02 0.82906E-01 -0.12818E-01 720 0.153E+00 0.422E-01
DAV: 10 -0.913007409062E+02 0.92193E-02 -0.43857E-02 733 0.105E+00 0.298E-01
DAV: 11 -0.913056198478E+02 -0.48789E-02 -0.13791E-02 616 0.597E-01 0.159E-01
DAV: 12 -0.913085881824E+02 -0.29683E-02 -0.28816E-03 618 0.246E-01 0.102E-01
DAV: 13 -0.913123018665E+02 -0.37137E-02 -0.19162E-03 665 0.222E-01 0.491E-02
DAV: 14 -0.913159333532E+02 -0.36315E-02 -0.10100E-03 677 0.208E-01 0.409E-02
DAV: 15 -0.913171130935E+02 -0.11797E-02 -0.27984E-04 680 0.976E-02 0.301E-02
DAV: 16 -0.913177920751E+02 -0.67898E-03 -0.18066E-04 725 0.872E-02 0.125E-02
DAV: 17 -0.913186787634E+02 -0.88669E-03 -0.94212E-05 636 0.440E-02 0.136E-02
DAV: 18 -0.913188805233E+02 -0.20176E-03 -0.13762E-05 496 0.177E-02 0.997E-03
DAV: 19 -0.913190571114E+02 -0.17659E-03 -0.41670E-05 609 0.350E-02 0.428E-03
DAV: 20 -0.913190663679E+02 -0.92565E-05 -0.34743E-06 536 0.112E-02
1 F= -.91319066E+02 E0= -.91323590E+02 d E =0.135702E-01