iterations/neb0_image09_iter140_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 0.374518688116E+03 0.37452E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.239957237855E+01 -0.37212E+03 -0.35989E+03 877 0.196E+02
DAV: 3 -0.969292266655E+02 -0.99329E+02 -0.98993E+02 672 0.116E+02
DAV: 4 -0.101268440479E+03 -0.43392E+01 -0.43299E+01 712 0.281E+01
DAV: 5 -0.101352516136E+03 -0.84076E-01 -0.84038E-01 736 0.355E+00 0.227E+01
DAV: 6 -0.926805450847E+02 0.86720E+01 -0.30928E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918070317372E+02 0.87351E+00 -0.17154E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914288262978E+02 0.37821E+00 -0.54617E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913472670075E+02 0.81559E-01 -0.13124E-01 712 0.155E+00 0.425E-01
DAV: 10 -0.913387050103E+02 0.85620E-02 -0.45873E-02 765 0.113E+00 0.304E-01
DAV: 11 -0.913430364525E+02 -0.43314E-02 -0.12601E-02 616 0.586E-01 0.137E-01
DAV: 12 -0.913461173768E+02 -0.30809E-02 -0.30442E-03 631 0.243E-01 0.116E-01
DAV: 13 -0.913498955625E+02 -0.37782E-02 -0.15714E-03 728 0.221E-01 0.422E-02
DAV: 14 -0.913530948027E+02 -0.31992E-02 -0.53323E-04 661 0.120E-01 0.363E-02
DAV: 15 -0.913547981005E+02 -0.17033E-02 -0.15049E-04 672 0.714E-02 0.338E-02
DAV: 16 -0.913560389998E+02 -0.12409E-02 -0.35350E-04 655 0.921E-02 0.216E-02
DAV: 17 -0.913563031732E+02 -0.26417E-03 -0.74747E-05 752 0.615E-02 0.113E-02
DAV: 18 -0.913565618146E+02 -0.25864E-03 -0.42018E-05 567 0.265E-02 0.103E-02
DAV: 19 -0.913566089989E+02 -0.47184E-04 -0.70847E-06 496 0.179E-02 0.464E-03
DAV: 20 -0.913566462349E+02 -0.37236E-04 -0.14653E-05 407 0.237E-02 0.462E-03
DAV: 21 -0.913566578163E+02 -0.11581E-04 -0.28322E-06 480 0.933E-03 0.406E-03
DAV: 22 -0.913566641189E+02 -0.63026E-05 -0.23005E-06 417 0.106E-02
1 F= -.91356664E+02 E0= -.91361416E+02 d E =0.142561E-01