iterations/neb0_image09_iter293_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 0.374247945721E+03 0.37425E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.333311309732E+01 -0.37091E+03 -0.35823E+03 866 0.196E+02
DAV: 3 -0.967661682106E+02 -0.10010E+03 -0.99776E+02 664 0.117E+02
DAV: 4 -0.101295224582E+03 -0.45291E+01 -0.45183E+01 712 0.287E+01
DAV: 5 -0.101384369077E+03 -0.89144E-01 -0.89104E-01 728 0.365E+00 0.227E+01
DAV: 6 -0.926834500433E+02 0.87009E+01 -0.31035E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918117995091E+02 0.87165E+00 -0.17200E+00 720 0.614E+00 0.480E+00
DAV: 8 -0.914358898146E+02 0.37591E+00 -0.54126E-01 704 0.395E+00 0.163E+00
DAV: 9 -0.913543821796E+02 0.81508E-01 -0.13198E-01 728 0.154E+00 0.421E-01
DAV: 10 -0.913461379447E+02 0.82442E-02 -0.45390E-02 752 0.108E+00 0.305E-01
DAV: 11 -0.913508833235E+02 -0.47454E-02 -0.13823E-02 608 0.610E-01 0.147E-01
DAV: 12 -0.913538407698E+02 -0.29574E-02 -0.28577E-03 626 0.225E-01 0.115E-01
DAV: 13 -0.913577014969E+02 -0.38607E-02 -0.25956E-03 677 0.269E-01 0.534E-02
DAV: 14 -0.913608896848E+02 -0.31882E-02 -0.60707E-04 672 0.130E-01 0.245E-02
DAV: 15 -0.913624769394E+02 -0.15873E-02 -0.13254E-04 672 0.544E-02 0.178E-02
DAV: 16 -0.913635906526E+02 -0.11137E-02 -0.17312E-04 661 0.593E-02 0.145E-02
DAV: 17 -0.913637770901E+02 -0.18644E-03 -0.13087E-05 496 0.264E-02 0.107E-02
DAV: 18 -0.913640147082E+02 -0.23762E-03 -0.62648E-05 612 0.386E-02 0.868E-03
DAV: 19 -0.913640345208E+02 -0.19813E-04 -0.55225E-06 520 0.215E-02 0.433E-03
DAV: 20 -0.913640639248E+02 -0.29404E-04 -0.11037E-05 415 0.186E-02 0.291E-03
DAV: 21 -0.913640819677E+02 -0.18043E-04 -0.36785E-06 448 0.895E-03 0.368E-03
DAV: 22 -0.913640842907E+02 -0.23231E-05 -0.64189E-07 493 0.664E-03
1 F= -.91364084E+02 E0= -.91368884E+02 d E =0.143996E-01