./iterations/neb0_image08_iter212_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 0.373259240592E+03 0.37326E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.350343985913E+01 -0.36976E+03 -0.35732E+03 869 0.196E+02
DAV: 3 -0.967218592450E+02 -0.10023E+03 -0.99913E+02 672 0.116E+02
DAV: 4 -0.101228070791E+03 -0.45062E+01 -0.44933E+01 712 0.284E+01
DAV: 5 -0.101316138569E+03 -0.88068E-01 -0.88014E-01 736 0.360E+00 0.226E+01
DAV: 6 -0.926457328581E+02 0.86704E+01 -0.31088E+01 725 0.301E+01 0.118E+01
DAV: 7 -0.917883619901E+02 0.85737E+00 -0.17357E+00 720 0.614E+00 0.479E+00
DAV: 8 -0.914143277537E+02 0.37403E+00 -0.53995E-01 720 0.394E+00 0.162E+00
DAV: 9 -0.913341222696E+02 0.80205E-01 -0.13208E-01 728 0.155E+00 0.419E-01
DAV: 10 -0.913263400027E+02 0.77823E-02 -0.45589E-02 752 0.110E+00 0.303E-01
DAV: 11 -0.913312941554E+02 -0.49542E-02 -0.14517E-02 616 0.628E-01 0.153E-01
DAV: 12 -0.913340800692E+02 -0.27859E-02 -0.27794E-03 628 0.236E-01 0.113E-01
DAV: 13 -0.913376672261E+02 -0.35872E-02 -0.23656E-03 642 0.254E-01 0.497E-02
DAV: 14 -0.913408348486E+02 -0.31676E-02 -0.76494E-04 653 0.169E-01 0.283E-02
DAV: 15 -0.913421333153E+02 -0.12985E-02 -0.18179E-04 680 0.762E-02 0.249E-02
DAV: 16 -0.913430798109E+02 -0.94650E-03 -0.15886E-04 645 0.758E-02 0.109E-02
DAV: 17 -0.913436853358E+02 -0.60552E-03 -0.54473E-05 658 0.343E-02 0.130E-02
DAV: 18 -0.913438895300E+02 -0.20419E-03 -0.26586E-05 552 0.302E-02 0.610E-03
DAV: 19 -0.913440056438E+02 -0.11611E-03 -0.19602E-05 444 0.207E-02 0.457E-03
DAV: 20 -0.913440197769E+02 -0.14133E-04 -0.25474E-06 520 0.911E-03 0.301E-03
DAV: 21 -0.913440325160E+02 -0.12739E-04 -0.35823E-06 412 0.123E-02 0.159E-03
DAV: 22 -0.913440384457E+02 -0.59297E-05 -0.13308E-06 437 0.549E-03
1 F= -.91344038E+02 E0= -.91348902E+02 d E =0.145913E-01