iterations/neb0_image01_iter69_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 0.366666929021E+03 0.36667E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.343871037389E+01 -0.36323E+03 -0.34981E+03 839 0.195E+02
DAV: 3 -0.957411075607E+02 -0.99180E+02 -0.98839E+02 680 0.116E+02
DAV: 4 -0.100202967071E+03 -0.44619E+01 -0.44526E+01 693 0.283E+01
DAV: 5 -0.100290795658E+03 -0.87829E-01 -0.87778E-01 744 0.355E+00 0.222E+01
DAV: 6 -0.916700079303E+02 0.86208E+01 -0.31226E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908608075303E+02 0.80920E+00 -0.18203E+00 720 0.634E+00 0.484E+00
DAV: 8 -0.904797887212E+02 0.38102E+00 -0.55301E-01 704 0.424E+00 0.168E+00
DAV: 9 -0.903941334853E+02 0.85655E-01 -0.13754E-01 696 0.164E+00 0.429E-01
DAV: 10 -0.903885057315E+02 0.56278E-02 -0.46733E-02 728 0.127E+00 0.319E-01
DAV: 11 -0.903922433108E+02 -0.37376E-02 -0.68507E-03 616 0.482E-01 0.147E-01
DAV: 12 -0.903957929656E+02 -0.35497E-02 -0.72807E-03 616 0.490E-01 0.129E-01
DAV: 13 -0.903985948531E+02 -0.28019E-02 -0.14194E-03 848 0.311E-01 0.781E-02
DAV: 14 -0.904014591379E+02 -0.28643E-02 -0.14074E-03 623 0.181E-01 0.595E-02
DAV: 15 -0.904036629058E+02 -0.22038E-02 -0.43015E-04 672 0.123E-01 0.464E-02
DAV: 16 -0.904049632910E+02 -0.13004E-02 -0.71867E-04 661 0.156E-01 0.344E-02
DAV: 17 -0.904058013959E+02 -0.83810E-03 -0.17150E-04 829 0.911E-02 0.211E-02
DAV: 18 -0.904059609845E+02 -0.15959E-03 -0.37817E-05 712 0.317E-02 0.138E-02
DAV: 19 -0.904062208738E+02 -0.25989E-03 -0.56419E-05 633 0.377E-02 0.468E-03
DAV: 20 -0.904062520486E+02 -0.31175E-04 -0.49860E-06 480 0.135E-02 0.527E-03
DAV: 21 -0.904062910033E+02 -0.38955E-04 -0.56349E-06 425 0.145E-02 0.430E-03
DAV: 22 -0.904063126058E+02 -0.21602E-04 -0.42194E-06 477 0.112E-02 0.288E-03
DAV: 23 -0.904063153545E+02 -0.27487E-05 -0.33085E-06 520 0.102E-02
1 F= -.90406315E+02 E0= -.90411503E+02 d E =0.155624E-01