iterations/neb0_image04_iter2_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 0.370359757376E+03 0.37036E+03 -0.14261E+04 624 0.799E+02
DAV: 2 0.937863797752E+01 -0.36098E+03 -0.34842E+03 837 0.194E+02
DAV: 3 -0.910061518572E+02 -0.10038E+03 -0.99722E+02 712 0.117E+02
DAV: 4 -0.954851928486E+02 -0.44790E+01 -0.44641E+01 704 0.272E+01
DAV: 5 -0.955745691789E+02 -0.89376E-01 -0.89346E-01 736 0.339E+00 0.234E+01
DAV: 6 -0.861298515156E+02 0.94447E+01 -0.32422E+01 677 0.311E+01 0.123E+01
DAV: 7 -0.852052079083E+02 0.92464E+00 -0.20246E+00 712 0.778E+00 0.516E+00
DAV: 8 -0.847908845113E+02 0.41432E+00 -0.82692E-01 712 0.510E+00 0.167E+00
DAV: 9 -0.847195747384E+02 0.71310E-01 -0.18241E-01 733 0.212E+00 0.607E-01
DAV: 10 -0.847091391067E+02 0.10436E-01 -0.32834E-02 720 0.117E+00 0.290E-01
DAV: 11 -0.847093073763E+02 -0.16827E-03 -0.72198E-03 640 0.493E-01 0.223E-01
DAV: 12 -0.847124937987E+02 -0.31864E-02 -0.66522E-03 612 0.457E-01 0.147E-01
DAV: 13 -0.847143036863E+02 -0.18099E-02 -0.19150E-03 704 0.239E-01 0.149E-01
DAV: 14 -0.847173082830E+02 -0.30046E-02 -0.14666E-03 680 0.227E-01 0.983E-02
DAV: 15 -0.847199851242E+02 -0.26768E-02 -0.13025E-03 649 0.167E-01 0.492E-02
DAV: 16 -0.847221037515E+02 -0.21186E-02 -0.48689E-04 663 0.130E-01 0.303E-02
DAV: 17 -0.847230388870E+02 -0.93514E-03 -0.15846E-04 680 0.643E-02 0.199E-02
DAV: 18 -0.847238603331E+02 -0.82145E-03 -0.99496E-05 652 0.498E-02 0.109E-02
DAV: 19 -0.847241423833E+02 -0.28205E-03 -0.24205E-05 525 0.293E-02 0.861E-03
DAV: 20 -0.847243584835E+02 -0.21610E-03 -0.25447E-05 483 0.227E-02 0.418E-03
DAV: 21 -0.847244025358E+02 -0.44052E-04 -0.47503E-06 496 0.125E-02 0.243E-03
DAV: 22 -0.847244470723E+02 -0.44536E-04 -0.79383E-06 383 0.132E-02 0.263E-03
DAV: 23 -0.847244506884E+02 -0.36161E-05 -0.10912E-06 520 0.586E-03
1 F= -.84724451E+02 E0= -.84732297E+02 d E =0.235391E-01