iterations/neb0_image06_iter244_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 0.370201108408E+03 0.37020E+03 -0.14351E+04 640 0.799E+02
DAV: 2 0.368771688734E+01 -0.36651E+03 -0.35438E+03 866 0.193E+02
DAV: 3 -0.951395906051E+02 -0.98827E+02 -0.98455E+02 648 0.116E+02
DAV: 4 -0.100007897430E+03 -0.48683E+01 -0.48531E+01 728 0.295E+01
DAV: 5 -0.100110188646E+03 -0.10229E+00 -0.10224E+00 712 0.380E+00 0.224E+01
DAV: 6 -0.916020517869E+02 0.85081E+01 -0.29994E+01 693 0.301E+01 0.118E+01
DAV: 7 -0.907774362317E+02 0.82462E+00 -0.17215E+00 728 0.630E+00 0.480E+00
DAV: 8 -0.904052731836E+02 0.37216E+00 -0.56668E-01 704 0.420E+00 0.165E+00
DAV: 9 -0.903186947000E+02 0.86578E-01 -0.12750E-01 720 0.160E+00 0.430E-01
DAV: 10 -0.903089707741E+02 0.97239E-02 -0.35224E-02 720 0.924E-01 0.286E-01
DAV: 11 -0.903131153782E+02 -0.41446E-02 -0.99939E-03 602 0.529E-01 0.155E-01
DAV: 12 -0.903152342528E+02 -0.21189E-02 -0.28707E-03 632 0.314E-01 0.843E-02
DAV: 13 -0.903193045794E+02 -0.40703E-02 -0.19398E-03 633 0.213E-01 0.743E-02
DAV: 14 -0.903218332206E+02 -0.25286E-02 -0.62551E-04 752 0.184E-01 0.279E-02
DAV: 15 -0.903244246357E+02 -0.25914E-02 -0.40295E-04 636 0.974E-02 0.349E-02
DAV: 16 -0.903259241198E+02 -0.14995E-02 -0.22821E-04 722 0.994E-02 0.185E-02
DAV: 17 -0.903267322085E+02 -0.80809E-03 -0.14168E-04 661 0.573E-02 0.161E-02
DAV: 18 -0.903269567412E+02 -0.22453E-03 -0.23526E-05 557 0.272E-02 0.885E-03
DAV: 19 -0.903270916800E+02 -0.13494E-03 -0.36602E-05 567 0.333E-02 0.599E-03
DAV: 20 -0.903271203086E+02 -0.28629E-04 -0.47904E-06 480 0.190E-02 0.255E-03
DAV: 21 -0.903271312671E+02 -0.10958E-04 -0.32811E-06 426 0.878E-03 0.121E-03
DAV: 22 -0.903271395854E+02 -0.83183E-05 -0.10016E-06 431 0.653E-03
1 F= -.90327140E+02 E0= -.90331736E+02 d E =0.137897E-01