iterations/neb0_image09_iter230_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 0.373979932969E+03 0.37398E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.329500854454E+01 -0.37068E+03 -0.35808E+03 869 0.196E+02
DAV: 3 -0.967195926748E+02 -0.10001E+03 -0.99685E+02 661 0.117E+02
DAV: 4 -0.101252428661E+03 -0.45328E+01 -0.45222E+01 720 0.287E+01
DAV: 5 -0.101341469284E+03 -0.89041E-01 -0.89000E-01 728 0.365E+00 0.227E+01
DAV: 6 -0.926746618880E+02 0.86668E+01 -0.30987E+01 728 0.300E+01 0.119E+01
DAV: 7 -0.918094719212E+02 0.86519E+00 -0.17170E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914342859533E+02 0.37519E+00 -0.54478E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913535351631E+02 0.80751E-01 -0.13178E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913454248320E+02 0.81103E-02 -0.43793E-02 760 0.108E+00 0.299E-01
DAV: 11 -0.913497565106E+02 -0.43317E-02 -0.11600E-02 608 0.560E-01 0.131E-01
DAV: 12 -0.913530226900E+02 -0.32662E-02 -0.28457E-03 623 0.243E-01 0.108E-01
DAV: 13 -0.913564715945E+02 -0.34489E-02 -0.11786E-03 674 0.188E-01 0.429E-02
DAV: 14 -0.913597027839E+02 -0.32312E-02 -0.71570E-04 656 0.143E-01 0.385E-02
DAV: 15 -0.913610084720E+02 -0.13057E-02 -0.13536E-04 760 0.817E-02 0.323E-02
DAV: 16 -0.913624989022E+02 -0.14904E-02 -0.32117E-04 645 0.858E-02 0.170E-02
DAV: 17 -0.913629392324E+02 -0.44033E-03 -0.66252E-05 680 0.545E-02 0.123E-02
DAV: 18 -0.913631836555E+02 -0.24442E-03 -0.42336E-05 565 0.282E-02 0.908E-03
DAV: 19 -0.913632237506E+02 -0.40095E-04 -0.68787E-06 512 0.157E-02 0.438E-03
DAV: 20 -0.913632539094E+02 -0.30159E-04 -0.76896E-06 418 0.174E-02 0.188E-03
DAV: 21 -0.913632659426E+02 -0.12033E-04 -0.22748E-06 472 0.740E-03 0.252E-03
DAV: 22 -0.913632703310E+02 -0.43883E-05 -0.51749E-07 448 0.444E-03
1 F= -.91363270E+02 E0= -.91368016E+02 d E =0.142357E-01