iterations/neb0_image03_iter199_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 0.363624561419E+03 0.36362E+03 -0.14324E+04 632 0.799E+02
DAV: 2 -0.116378584883E+00 -0.36374E+03 -0.35384E+03 855 0.195E+02
DAV: 3 -0.960458434705E+02 -0.95929E+02 -0.95619E+02 669 0.115E+02
DAV: 4 -0.100259095659E+03 -0.42133E+01 -0.42014E+01 712 0.273E+01
DAV: 5 -0.100342563070E+03 -0.83467E-01 -0.83432E-01 736 0.344E+00 0.222E+01
DAV: 6 -0.917159192440E+02 0.86266E+01 -0.31035E+01 672 0.298E+01 0.117E+01
DAV: 7 -0.908802059716E+02 0.83571E+00 -0.18150E+00 712 0.635E+00 0.483E+00
DAV: 8 -0.904867175814E+02 0.39349E+00 -0.55998E-01 704 0.428E+00 0.169E+00
DAV: 9 -0.903915801449E+02 0.95137E-01 -0.12807E-01 704 0.178E+00 0.442E-01
DAV: 10 -0.903838458047E+02 0.77343E-02 -0.41999E-02 728 0.109E+00 0.333E-01
DAV: 11 -0.903876887963E+02 -0.38430E-02 -0.10015E-02 664 0.689E-01 0.139E-01
DAV: 12 -0.903899075327E+02 -0.22187E-02 -0.42310E-03 621 0.374E-01 0.113E-01
DAV: 13 -0.903946666955E+02 -0.47592E-02 -0.31920E-03 698 0.330E-01 0.905E-02
DAV: 14 -0.903982440258E+02 -0.35773E-02 -0.93845E-04 658 0.167E-01 0.388E-02
DAV: 15 -0.904005137523E+02 -0.22697E-02 -0.48295E-04 672 0.105E-01 0.257E-02
DAV: 16 -0.904020221064E+02 -0.15084E-02 -0.13771E-04 672 0.676E-02 0.103E-02
DAV: 17 -0.904029728671E+02 -0.95076E-03 -0.18543E-04 647 0.668E-02 0.162E-02
DAV: 18 -0.904031306396E+02 -0.15777E-03 -0.20808E-05 576 0.368E-02 0.849E-03
DAV: 19 -0.904032051879E+02 -0.74548E-04 -0.27932E-05 640 0.280E-02 0.552E-03
DAV: 20 -0.904033017420E+02 -0.96554E-04 -0.11053E-05 463 0.215E-02 0.171E-03
DAV: 21 -0.904033395993E+02 -0.37857E-04 -0.51234E-06 472 0.925E-03 0.164E-03
DAV: 22 -0.904033520186E+02 -0.12419E-04 -0.28432E-06 472 0.924E-03 0.237E-03
DAV: 23 -0.904033546644E+02 -0.26458E-05 -0.78899E-07 472 0.467E-03
1 F= -.90403355E+02 E0= -.90411130E+02 d E =0.233247E-01