iterations/neb0_image07_iter115_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 0.377528495151E+03 0.37753E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.417591222740E+01 -0.37335E+03 -0.35985E+03 869 0.196E+02
DAV: 3 -0.963931867993E+02 -0.10057E+03 -0.10024E+03 664 0.117E+02
DAV: 4 -0.101038636837E+03 -0.46455E+01 -0.46334E+01 704 0.288E+01
DAV: 5 -0.101131260694E+03 -0.92624E-01 -0.92585E-01 728 0.366E+00 0.228E+01
DAV: 6 -0.924731657102E+02 0.86581E+01 -0.30719E+01 693 0.303E+01 0.119E+01
DAV: 7 -0.915999672052E+02 0.87320E+00 -0.16765E+00 736 0.613E+00 0.481E+00
DAV: 8 -0.912194864020E+02 0.38048E+00 -0.54921E-01 712 0.399E+00 0.163E+00
DAV: 9 -0.911359842443E+02 0.83502E-01 -0.13267E-01 720 0.155E+00 0.424E-01
DAV: 10 -0.911268154496E+02 0.91688E-02 -0.48316E-02 733 0.114E+00 0.312E-01
DAV: 11 -0.911315072314E+02 -0.46918E-02 -0.13879E-02 616 0.619E-01 0.146E-01
DAV: 12 -0.911345057100E+02 -0.29985E-02 -0.33899E-03 633 0.261E-01 0.146E-01
DAV: 13 -0.911384425283E+02 -0.39368E-02 -0.31404E-03 725 0.335E-01 0.599E-02
DAV: 14 -0.911409157959E+02 -0.24733E-02 -0.52053E-04 656 0.110E-01 0.583E-02
DAV: 15 -0.911434844040E+02 -0.25686E-02 -0.35206E-04 637 0.916E-02 0.307E-02
DAV: 16 -0.911444183757E+02 -0.93397E-03 -0.37082E-04 680 0.949E-02 0.319E-02
DAV: 17 -0.911448601708E+02 -0.44180E-03 -0.12235E-04 648 0.689E-02 0.995E-03
DAV: 18 -0.911450353819E+02 -0.17521E-03 -0.23840E-05 536 0.264E-02 0.735E-03
DAV: 19 -0.911450917707E+02 -0.56389E-04 -0.10434E-05 480 0.189E-02 0.248E-03
DAV: 20 -0.911451374639E+02 -0.45693E-04 -0.44870E-06 404 0.952E-03 0.155E-03
DAV: 21 -0.911451496378E+02 -0.12174E-04 -0.16998E-06 477 0.533E-03 0.157E-03
DAV: 22 -0.911451536386E+02 -0.40008E-05 -0.57080E-07 447 0.369E-03
1 F= -.91145154E+02 E0= -.91150273E+02 d E =0.153574E-01