./iterations/neb0_image03_iter214_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 0.363826048370E+03 0.36383E+03 -0.14326E+04 632 0.799E+02
DAV: 2 -0.130505580424E+00 -0.36396E+03 -0.35417E+03 855 0.195E+02
DAV: 3 -0.960319155697E+02 -0.95901E+02 -0.95590E+02 661 0.115E+02
DAV: 4 -0.100286064132E+03 -0.42541E+01 -0.42428E+01 712 0.277E+01
DAV: 5 -0.100369848094E+03 -0.83784E-01 -0.83750E-01 736 0.350E+00 0.222E+01
DAV: 6 -0.917305458663E+02 0.86393E+01 -0.31054E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.908849981235E+02 0.84555E+00 -0.18032E+00 712 0.635E+00 0.484E+00
DAV: 8 -0.904894841128E+02 0.39551E+00 -0.56609E-01 696 0.431E+00 0.169E+00
DAV: 9 -0.903953504882E+02 0.94134E-01 -0.13299E-01 712 0.168E+00 0.438E-01
DAV: 10 -0.903877506402E+02 0.75998E-02 -0.52469E-02 728 0.129E+00 0.346E-01
DAV: 11 -0.903917932334E+02 -0.40426E-02 -0.89850E-03 624 0.626E-01 0.123E-01
DAV: 12 -0.903952346094E+02 -0.34414E-02 -0.66205E-03 618 0.375E-01 0.135E-01
DAV: 13 -0.903987987781E+02 -0.35642E-02 -0.19798E-03 917 0.361E-01 0.884E-02
DAV: 14 -0.904020875224E+02 -0.32887E-02 -0.13702E-03 642 0.185E-01 0.687E-02
DAV: 15 -0.904041946127E+02 -0.21071E-02 -0.30027E-04 664 0.911E-02 0.406E-02
DAV: 16 -0.904059851775E+02 -0.17906E-02 -0.75846E-04 661 0.156E-01 0.369E-02
DAV: 17 -0.904065460289E+02 -0.56085E-03 -0.11300E-04 744 0.763E-02 0.216E-02
DAV: 18 -0.904070123332E+02 -0.46630E-03 -0.19687E-04 645 0.780E-02 0.145E-02
DAV: 19 -0.904071559227E+02 -0.14359E-03 -0.18308E-05 520 0.295E-02 0.903E-03
DAV: 20 -0.904072327506E+02 -0.76828E-04 -0.28506E-05 589 0.286E-02 0.297E-03
DAV: 21 -0.904072774579E+02 -0.44707E-04 -0.40139E-06 448 0.117E-02 0.178E-03
DAV: 22 -0.904072931514E+02 -0.15693E-04 -0.27553E-06 472 0.714E-03 0.859E-04
DAV: 23 -0.904072963728E+02 -0.32215E-05 -0.54564E-07 512 0.353E-03
1 F= -.90407296E+02 E0= -.90413800E+02 d E =0.195104E-01