iterations/neb0_image04_iter220_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 0.369248541399E+03 0.36925E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.178292411236E+01 -0.36747E+03 -0.35593E+03 869 0.195E+02
DAV: 3 -0.960664641673E+02 -0.97849E+02 -0.97557E+02 661 0.116E+02
DAV: 4 -0.100337613926E+03 -0.42711E+01 -0.42624E+01 704 0.279E+01
DAV: 5 -0.100420414288E+03 -0.82800E-01 -0.82769E-01 736 0.348E+00 0.224E+01
DAV: 6 -0.916825039722E+02 0.87379E+01 -0.31149E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908116573408E+02 0.87085E+00 -0.17900E+00 704 0.644E+00 0.484E+00
DAV: 8 -0.903999387470E+02 0.41172E+00 -0.55122E-01 704 0.449E+00 0.175E+00
DAV: 9 -0.903091853487E+02 0.90753E-01 -0.14081E-01 720 0.212E+00 0.564E-01
DAV: 10 -0.902945097702E+02 0.14676E-01 -0.38220E-02 696 0.101E+00 0.358E-01
DAV: 11 -0.902964213176E+02 -0.19115E-02 -0.12906E-02 717 0.665E-01 0.279E-01
DAV: 12 -0.902983578371E+02 -0.19365E-02 -0.36679E-03 701 0.587E-01 0.138E-01
DAV: 13 -0.903018630794E+02 -0.35052E-02 -0.29218E-03 626 0.345E-01 0.986E-02
DAV: 14 -0.903059024774E+02 -0.40394E-02 -0.17209E-03 620 0.221E-01 0.502E-02
DAV: 15 -0.903082850802E+02 -0.23826E-02 -0.52085E-04 650 0.109E-01 0.480E-02
DAV: 16 -0.903107716211E+02 -0.24865E-02 -0.62337E-04 789 0.181E-01 0.350E-02
DAV: 17 -0.903117312059E+02 -0.95958E-03 -0.16513E-04 672 0.660E-02 0.325E-02
DAV: 18 -0.903123001977E+02 -0.56899E-03 -0.12915E-04 722 0.673E-02 0.180E-02
DAV: 19 -0.903124986276E+02 -0.19843E-03 -0.36579E-05 680 0.395E-02 0.831E-03
DAV: 20 -0.903126742333E+02 -0.17561E-03 -0.22571E-05 497 0.243E-02 0.612E-03
DAV: 21 -0.903127575197E+02 -0.83286E-04 -0.83988E-06 455 0.133E-02 0.574E-03
DAV: 22 -0.903127874126E+02 -0.29893E-04 -0.60829E-06 456 0.141E-02 0.186E-03
DAV: 23 -0.903127947338E+02 -0.73212E-05 -0.20918E-06 482 0.767E-03
1 F= -.90312795E+02 E0= -.90321140E+02 d E =0.250347E-01