iterations/neb0_image07_iter3_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 0.366102037939E+03 0.36610E+03 -0.14215E+04 624 0.799E+02
DAV: 2 0.550479371502E+01 -0.36060E+03 -0.34783E+03 866 0.193E+02
DAV: 3 -0.930220454791E+02 -0.98527E+02 -0.98046E+02 696 0.115E+02
DAV: 4 -0.975114905464E+02 -0.44894E+01 -0.44721E+01 712 0.276E+01
DAV: 5 -0.976078071179E+02 -0.96317E-01 -0.96265E-01 720 0.357E+00 0.223E+01
DAV: 6 -0.889162602066E+02 0.86915E+01 -0.32332E+01 666 0.311E+01 0.116E+01
DAV: 7 -0.881371780216E+02 0.77908E+00 -0.18173E+00 720 0.723E+00 0.492E+00
DAV: 8 -0.877485085090E+02 0.38867E+00 -0.63366E-01 704 0.445E+00 0.167E+00
DAV: 9 -0.876646488781E+02 0.83860E-01 -0.15872E-01 752 0.198E+00 0.542E-01
DAV: 10 -0.876542750537E+02 0.10374E-01 -0.20561E-02 776 0.868E-01 0.281E-01
DAV: 11 -0.876531844905E+02 0.10906E-02 -0.10636E-02 648 0.571E-01 0.190E-01
DAV: 12 -0.876563825574E+02 -0.31981E-02 -0.47145E-03 672 0.434E-01 0.102E-01
DAV: 13 -0.876604552395E+02 -0.40727E-02 -0.17070E-03 613 0.212E-01 0.880E-02
DAV: 14 -0.876641110065E+02 -0.36558E-02 -0.12528E-03 655 0.173E-01 0.366E-02
DAV: 15 -0.876664300262E+02 -0.23190E-02 -0.27519E-04 688 0.858E-02 0.254E-02
DAV: 16 -0.876686186319E+02 -0.21886E-02 -0.25062E-04 662 0.703E-02 0.133E-02
DAV: 17 -0.876691456893E+02 -0.52706E-03 -0.35386E-05 624 0.355E-02 0.826E-03
DAV: 18 -0.876695857711E+02 -0.44008E-03 -0.66818E-05 647 0.368E-02 0.907E-03
DAV: 19 -0.876696361002E+02 -0.50329E-04 -0.81016E-06 536 0.265E-02 0.405E-03
DAV: 20 -0.876697136976E+02 -0.77597E-04 -0.18426E-05 422 0.210E-02 0.472E-03
DAV: 21 -0.876697261446E+02 -0.12447E-04 -0.21366E-06 501 0.102E-02 0.289E-03
DAV: 22 -0.876697437997E+02 -0.17655E-04 -0.12550E-05 403 0.238E-02 0.570E-03
DAV: 23 -0.876697455108E+02 -0.17112E-05 -0.28995E-06 493 0.146E-02
1 F= -.87669746E+02 E0= -.87674276E+02 d E =0.135912E-01