./iterations/neb0_image02_iter248_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 0.366216545748E+03 0.36622E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.284706707117E+00 -0.36593E+03 -0.35533E+03 877 0.196E+02
DAV: 3 -0.957095799327E+02 -0.95994E+02 -0.95667E+02 629 0.115E+02
DAV: 4 -0.100247101959E+03 -0.45375E+01 -0.45271E+01 712 0.294E+01
DAV: 5 -0.100337054713E+03 -0.89953E-01 -0.89924E-01 744 0.371E+00 0.222E+01
DAV: 6 -0.916733678831E+02 0.86637E+01 -0.31043E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908550862386E+02 0.81828E+00 -0.18133E+00 712 0.635E+00 0.485E+00
DAV: 8 -0.904747133564E+02 0.38037E+00 -0.55416E-01 704 0.430E+00 0.170E+00
DAV: 9 -0.903897080371E+02 0.85005E-01 -0.13521E-01 720 0.166E+00 0.427E-01
DAV: 10 -0.903851806885E+02 0.45273E-02 -0.48741E-02 712 0.125E+00 0.328E-01
DAV: 11 -0.903889305589E+02 -0.37499E-02 -0.77267E-03 624 0.594E-01 0.118E-01
DAV: 12 -0.903920120039E+02 -0.30814E-02 -0.66410E-03 632 0.417E-01 0.135E-01
DAV: 13 -0.903945861423E+02 -0.25741E-02 -0.19411E-03 877 0.337E-01 0.813E-02
DAV: 14 -0.903976592875E+02 -0.30731E-02 -0.13185E-03 612 0.171E-01 0.704E-02
DAV: 15 -0.903994427599E+02 -0.17835E-02 -0.30803E-04 688 0.102E-01 0.535E-02
DAV: 16 -0.904008760202E+02 -0.14333E-02 -0.10301E-03 669 0.189E-01 0.389E-02
DAV: 17 -0.904014761143E+02 -0.60009E-03 -0.12549E-04 680 0.795E-02 0.282E-02
DAV: 18 -0.904017992620E+02 -0.32315E-03 -0.11192E-04 664 0.529E-02 0.816E-03
DAV: 19 -0.904019712030E+02 -0.17194E-03 -0.31187E-05 570 0.277E-02 0.664E-03
DAV: 20 -0.904020035770E+02 -0.32374E-04 -0.31115E-06 504 0.116E-02 0.579E-03
DAV: 21 -0.904020557019E+02 -0.52125E-04 -0.13003E-05 409 0.200E-02 0.351E-03
DAV: 22 -0.904020594981E+02 -0.37962E-05 -0.38389E-06 504 0.114E-02
1 F= -.90402059E+02 E0= -.90408748E+02 d E =0.200666E-01