iterations/neb0_image03_iter215_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 0.363950104255E+03 0.36395E+03 -0.14326E+04 632 0.799E+02
DAV: 2 -0.110782067406E+00 -0.36406E+03 -0.35425E+03 855 0.195E+02
DAV: 3 -0.960402821220E+02 -0.95930E+02 -0.95618E+02 661 0.115E+02
DAV: 4 -0.100294535457E+03 -0.42543E+01 -0.42429E+01 712 0.277E+01
DAV: 5 -0.100378276094E+03 -0.83741E-01 -0.83706E-01 736 0.350E+00 0.223E+01
DAV: 6 -0.917325601626E+02 0.86457E+01 -0.31063E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.908857525428E+02 0.84681E+00 -0.18045E+00 712 0.634E+00 0.484E+00
DAV: 8 -0.904902644163E+02 0.39549E+00 -0.56503E-01 704 0.430E+00 0.169E+00
DAV: 9 -0.903960500292E+02 0.94214E-01 -0.13267E-01 712 0.168E+00 0.438E-01
DAV: 10 -0.903884517288E+02 0.75983E-02 -0.51677E-02 728 0.128E+00 0.345E-01
DAV: 11 -0.903925792846E+02 -0.41276E-02 -0.91222E-03 624 0.636E-01 0.121E-01
DAV: 12 -0.903958498898E+02 -0.32706E-02 -0.61428E-03 621 0.358E-01 0.131E-01
DAV: 13 -0.903996013553E+02 -0.37515E-02 -0.19430E-03 909 0.354E-01 0.873E-02
DAV: 14 -0.904028426761E+02 -0.32413E-02 -0.12791E-03 650 0.176E-01 0.666E-02
DAV: 15 -0.904049466252E+02 -0.21039E-02 -0.31234E-04 664 0.952E-02 0.353E-02
DAV: 16 -0.904067665838E+02 -0.18200E-02 -0.64122E-04 658 0.140E-01 0.355E-02
DAV: 17 -0.904073090025E+02 -0.54242E-03 -0.13444E-04 880 0.807E-02 0.162E-02
DAV: 18 -0.904077353665E+02 -0.42636E-03 -0.10343E-04 639 0.552E-02 0.953E-03
DAV: 19 -0.904078959651E+02 -0.16060E-03 -0.13894E-05 480 0.189E-02 0.750E-03
DAV: 20 -0.904079615247E+02 -0.65560E-04 -0.14958E-05 488 0.227E-02 0.244E-03
DAV: 21 -0.904080046808E+02 -0.43156E-04 -0.62687E-06 437 0.125E-02 0.230E-03
DAV: 22 -0.904080221551E+02 -0.17474E-04 -0.30756E-06 464 0.782E-03 0.186E-03
DAV: 23 -0.904080248916E+02 -0.27365E-05 -0.89865E-07 528 0.621E-03
1 F= -.90408025E+02 E0= -.90414674E+02 d E =0.199463E-01