iterations/neb0_image09_iter38_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 0.374899198354E+03 0.37490E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.253400931742E+01 -0.37237E+03 -0.35991E+03 877 0.196E+02
DAV: 3 -0.969774171177E+02 -0.99511E+02 -0.99183E+02 680 0.117E+02
DAV: 4 -0.101270332118E+03 -0.42929E+01 -0.42840E+01 696 0.276E+01
DAV: 5 -0.101353614648E+03 -0.83283E-01 -0.83245E-01 736 0.349E+00 0.227E+01
DAV: 6 -0.926663207460E+02 0.86873E+01 -0.30899E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.917841436140E+02 0.88218E+00 -0.17188E+00 728 0.615E+00 0.479E+00
DAV: 8 -0.914051762406E+02 0.37897E+00 -0.54026E-01 712 0.394E+00 0.164E+00
DAV: 9 -0.913222594084E+02 0.82917E-01 -0.13335E-01 701 0.156E+00 0.427E-01
DAV: 10 -0.913133967411E+02 0.88627E-02 -0.45328E-02 760 0.113E+00 0.302E-01
DAV: 11 -0.913178056716E+02 -0.44089E-02 -0.13450E-02 613 0.609E-01 0.146E-01
DAV: 12 -0.913206502741E+02 -0.28446E-02 -0.26387E-03 623 0.238E-01 0.116E-01
DAV: 13 -0.913245815110E+02 -0.39312E-02 -0.21474E-03 650 0.244E-01 0.466E-02
DAV: 14 -0.913276463798E+02 -0.30649E-02 -0.56748E-04 680 0.152E-01 0.273E-02
DAV: 15 -0.913295023335E+02 -0.18560E-02 -0.21200E-04 656 0.733E-02 0.293E-02
DAV: 16 -0.913306208762E+02 -0.11185E-02 -0.20218E-04 680 0.800E-02 0.119E-02
DAV: 17 -0.913311637970E+02 -0.54292E-03 -0.48388E-05 578 0.346E-02 0.132E-02
DAV: 18 -0.913313575960E+02 -0.19380E-03 -0.32601E-05 616 0.354E-02 0.876E-03
DAV: 19 -0.913314580448E+02 -0.10045E-03 -0.12920E-05 445 0.213E-02 0.333E-03
DAV: 20 -0.913314833958E+02 -0.25351E-04 -0.48052E-06 496 0.103E-02 0.217E-03
DAV: 21 -0.913315108644E+02 -0.27469E-04 -0.32645E-06 392 0.837E-03 0.110E-03
DAV: 22 -0.913315168638E+02 -0.59995E-05 -0.12909E-06 480 0.493E-03
1 F= -.91331517E+02 E0= -.91336076E+02 d E =0.136768E-01