iterations/neb0_image07_iter162_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 0.370537117725E+03 0.37054E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.318492711491E+01 -0.36735E+03 -0.35472E+03 869 0.194E+02
DAV: 3 -0.963117654811E+02 -0.99497E+02 -0.99175E+02 680 0.116E+02
DAV: 4 -0.100977808000E+03 -0.46660E+01 -0.46548E+01 688 0.286E+01
DAV: 5 -0.101075408013E+03 -0.97600E-01 -0.97526E-01 736 0.368E+00 0.225E+01
DAV: 6 -0.925267816047E+02 0.85486E+01 -0.30487E+01 733 0.299E+01 0.118E+01
DAV: 7 -0.916871023106E+02 0.83968E+00 -0.17220E+00 712 0.616E+00 0.478E+00
DAV: 8 -0.913179198355E+02 0.36918E+00 -0.52491E-01 728 0.394E+00 0.164E+00
DAV: 9 -0.912358819478E+02 0.82038E-01 -0.13082E-01 728 0.158E+00 0.422E-01
DAV: 10 -0.912273439382E+02 0.85380E-02 -0.40128E-02 757 0.106E+00 0.288E-01
DAV: 11 -0.912315124232E+02 -0.41685E-02 -0.10720E-02 608 0.547E-01 0.135E-01
DAV: 12 -0.912343133685E+02 -0.28009E-02 -0.25232E-03 650 0.271E-01 0.885E-02
DAV: 13 -0.912380781930E+02 -0.37648E-02 -0.11877E-03 639 0.172E-01 0.560E-02
DAV: 14 -0.912408068394E+02 -0.27286E-02 -0.53899E-04 808 0.172E-01 0.324E-02
DAV: 15 -0.912426370966E+02 -0.18303E-02 -0.26188E-04 661 0.950E-02 0.318E-02
DAV: 16 -0.912439519285E+02 -0.13148E-02 -0.16214E-04 685 0.638E-02 0.164E-02
DAV: 17 -0.912446565177E+02 -0.70459E-03 -0.97549E-05 693 0.494E-02 0.122E-02
DAV: 18 -0.912449651423E+02 -0.30862E-03 -0.44722E-05 680 0.363E-02 0.532E-03
DAV: 19 -0.912450381977E+02 -0.73055E-04 -0.61096E-06 456 0.147E-02 0.375E-03
DAV: 20 -0.912450618990E+02 -0.23701E-04 -0.50594E-06 485 0.138E-02 0.197E-03
DAV: 21 -0.912450791520E+02 -0.17253E-04 -0.17185E-06 406 0.904E-03 0.101E-03
DAV: 22 -0.912450875695E+02 -0.84175E-05 -0.17352E-06 444 0.568E-03
1 F= -.91245088E+02 E0= -.91250933E+02 d E =0.175351E-01