./iterations/neb0_image02_iter297_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 0.366293006492E+03 0.36629E+03 -0.14304E+04 624 0.799E+02
DAV: 2 0.109006346839E+01 -0.36520E+03 -0.35325E+03 869 0.196E+02
DAV: 3 -0.956128828327E+02 -0.96703E+02 -0.96370E+02 632 0.115E+02
DAV: 4 -0.100292837798E+03 -0.46800E+01 -0.46685E+01 704 0.296E+01
DAV: 5 -0.100385612575E+03 -0.92775E-01 -0.92737E-01 720 0.375E+00 0.223E+01
DAV: 6 -0.916761100334E+02 0.87095E+01 -0.30869E+01 680 0.299E+01 0.118E+01
DAV: 7 -0.908405107453E+02 0.83560E+00 -0.18216E+00 712 0.633E+00 0.484E+00
DAV: 8 -0.904642413240E+02 0.37627E+00 -0.54161E-01 704 0.423E+00 0.171E+00
DAV: 9 -0.903818952881E+02 0.82346E-01 -0.12334E-01 720 0.198E+00 0.441E-01
DAV: 10 -0.903777801137E+02 0.41152E-02 -0.36394E-02 709 0.104E+00 0.322E-01
DAV: 11 -0.903808942990E+02 -0.31142E-02 -0.76649E-03 768 0.630E-01 0.146E-01
DAV: 12 -0.903836205871E+02 -0.27263E-02 -0.33925E-03 618 0.375E-01 0.103E-01
DAV: 13 -0.903871375635E+02 -0.35170E-02 -0.19304E-03 706 0.237E-01 0.718E-02
DAV: 14 -0.903909261947E+02 -0.37886E-02 -0.90471E-04 639 0.144E-01 0.410E-02
DAV: 15 -0.903923175740E+02 -0.13914E-02 -0.18257E-04 744 0.954E-02 0.213E-02
DAV: 16 -0.903939946609E+02 -0.16771E-02 -0.25250E-04 666 0.888E-02 0.189E-02
DAV: 17 -0.903945102704E+02 -0.51561E-03 -0.81301E-05 752 0.657E-02 0.160E-02
DAV: 18 -0.903947477125E+02 -0.23744E-03 -0.54337E-05 656 0.434E-02 0.114E-02
DAV: 19 -0.903948795787E+02 -0.13187E-03 -0.24694E-05 544 0.351E-02 0.434E-03
DAV: 20 -0.903949666693E+02 -0.87091E-04 -0.14811E-05 453 0.209E-02 0.381E-03
DAV: 21 -0.903950037039E+02 -0.37035E-04 -0.51106E-06 464 0.989E-03 0.229E-03
DAV: 22 -0.903950156678E+02 -0.11964E-04 -0.37046E-06 453 0.123E-02 0.172E-03
DAV: 23 -0.903950185456E+02 -0.28778E-05 -0.95938E-07 496 0.561E-03
1 F= -.90395019E+02 E0= -.90403766E+02 d E =0.262414E-01