iterations/neb0_image04_iter7_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 0.357869982602E+03 0.35787E+03 -0.14245E+04 632 0.799E+02
DAV: 2 0.549354405653E+01 -0.35238E+03 -0.34005E+03 842 0.192E+02
DAV: 3 -0.921509311813E+02 -0.97644E+02 -0.97139E+02 688 0.115E+02
DAV: 4 -0.968824882152E+02 -0.47316E+01 -0.47151E+01 696 0.278E+01
DAV: 5 -0.969856955359E+02 -0.10321E+00 -0.10316E+00 720 0.361E+00 0.213E+01
DAV: 6 -0.885765733284E+02 0.84091E+01 -0.31421E+01 712 0.300E+01 0.110E+01
DAV: 7 -0.878362423147E+02 0.74033E+00 -0.16186E+00 728 0.684E+00 0.478E+00
DAV: 8 -0.874699724019E+02 0.36627E+00 -0.67415E-01 728 0.451E+00 0.168E+00
DAV: 9 -0.873907005872E+02 0.79272E-01 -0.14269E-01 712 0.184E+00 0.485E-01
DAV: 10 -0.873833574521E+02 0.73431E-02 -0.26444E-02 776 0.845E-01 0.288E-01
DAV: 11 -0.873850769762E+02 -0.17195E-02 -0.98940E-03 608 0.588E-01 0.146E-01
DAV: 12 -0.873871533095E+02 -0.20763E-02 -0.21213E-03 717 0.305E-01 0.106E-01
DAV: 13 -0.873919950345E+02 -0.48417E-02 -0.37906E-03 687 0.397E-01 0.913E-02
DAV: 14 -0.873944046213E+02 -0.24096E-02 -0.99867E-04 944 0.217E-01 0.436E-02
DAV: 15 -0.873967780881E+02 -0.23735E-02 -0.94862E-04 663 0.183E-01 0.543E-02
DAV: 16 -0.873979801048E+02 -0.12020E-02 -0.38620E-04 944 0.149E-01 0.269E-02
DAV: 17 -0.873986451421E+02 -0.66504E-03 -0.23112E-04 744 0.913E-02 0.186E-02
DAV: 18 -0.873993088795E+02 -0.66374E-03 -0.72786E-05 644 0.396E-02 0.142E-02
DAV: 19 -0.873994898781E+02 -0.18100E-03 -0.40034E-05 701 0.378E-02 0.477E-03
DAV: 20 -0.873996240258E+02 -0.13415E-03 -0.12278E-05 430 0.176E-02 0.303E-03
DAV: 21 -0.873996732908E+02 -0.49265E-04 -0.68593E-06 485 0.895E-03 0.273E-03
DAV: 22 -0.873996843059E+02 -0.11015E-04 -0.21458E-06 496 0.817E-03 0.126E-03
DAV: 23 -0.873996892299E+02 -0.49240E-05 -0.21227E-06 422 0.753E-03
1 F= -.87399689E+02 E0= -.87403556E+02 d E =0.116016E-01