iterations/neb0_image08_iter36_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 0.376710532785E+03 0.37671E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.377159489602E+01 -0.37294E+03 -0.35909E+03 869 0.196E+02
DAV: 3 -0.965383049702E+02 -0.10031E+03 -0.99984E+02 672 0.117E+02
DAV: 4 -0.101021675878E+03 -0.44834E+01 -0.44727E+01 712 0.284E+01
DAV: 5 -0.101108760156E+03 -0.87084E-01 -0.87050E-01 736 0.358E+00 0.228E+01
DAV: 6 -0.924626548037E+02 0.86461E+01 -0.30710E+01 682 0.304E+01 0.119E+01
DAV: 7 -0.916000875308E+02 0.86257E+00 -0.16795E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.912245208470E+02 0.37557E+00 -0.54259E-01 704 0.399E+00 0.163E+00
DAV: 9 -0.911412320673E+02 0.83289E-01 -0.13061E-01 704 0.157E+00 0.422E-01
DAV: 10 -0.911319124253E+02 0.93196E-02 -0.44399E-02 776 0.110E+00 0.302E-01
DAV: 11 -0.911362978892E+02 -0.43855E-02 -0.11926E-02 608 0.582E-01 0.138E-01
DAV: 12 -0.911390446919E+02 -0.27468E-02 -0.23827E-03 620 0.234E-01 0.109E-01
DAV: 13 -0.911431883832E+02 -0.41437E-02 -0.18922E-03 645 0.230E-01 0.478E-02
DAV: 14 -0.911457878149E+02 -0.25994E-02 -0.38803E-04 685 0.131E-01 0.267E-02
DAV: 15 -0.911482991585E+02 -0.25113E-02 -0.32175E-04 634 0.790E-02 0.303E-02
DAV: 16 -0.911491989099E+02 -0.89975E-03 -0.11479E-04 688 0.624E-02 0.821E-03
DAV: 17 -0.911499282362E+02 -0.72933E-03 -0.88384E-05 631 0.407E-02 0.132E-02
DAV: 18 -0.911501039346E+02 -0.17570E-03 -0.17847E-05 512 0.295E-02 0.873E-03
DAV: 19 -0.911501988392E+02 -0.94905E-04 -0.28249E-05 532 0.278E-02 0.663E-03
DAV: 20 -0.911502070996E+02 -0.82604E-05 -0.37223E-06 536 0.164E-02
1 F= -.91150207E+02 E0= -.91155352E+02 d E =0.154335E-01