./iterations/neb0_image06_iter33_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 0.373483547617E+03 0.37348E+03 -0.14306E+04 632 0.799E+02
DAV: 2 0.436646016451E+01 -0.36912E+03 -0.35609E+03 858 0.195E+02
DAV: 3 -0.952655268873E+02 -0.99632E+02 -0.99299E+02 672 0.117E+02
DAV: 4 -0.995665184401E+02 -0.43010E+01 -0.42889E+01 728 0.281E+01
DAV: 5 -0.996509081733E+02 -0.84390E-01 -0.84366E-01 720 0.353E+00 0.225E+01
DAV: 6 -0.910259100373E+02 0.86250E+01 -0.30729E+01 682 0.306E+01 0.117E+01
DAV: 7 -0.901853667492E+02 0.84054E+00 -0.16699E+00 720 0.651E+00 0.476E+00
DAV: 8 -0.898126108383E+02 0.37276E+00 -0.52522E-01 688 0.400E+00 0.169E+00
DAV: 9 -0.897245865529E+02 0.88024E-01 -0.13440E-01 720 0.181E+00 0.461E-01
DAV: 10 -0.897154457752E+02 0.91408E-02 -0.24669E-02 784 0.895E-01 0.288E-01
DAV: 11 -0.897183181367E+02 -0.28724E-02 -0.16798E-02 680 0.856E-01 0.201E-01
DAV: 12 -0.897191517041E+02 -0.83357E-03 -0.33147E-03 784 0.474E-01 0.117E-01
DAV: 13 -0.897229386697E+02 -0.37870E-02 -0.41539E-03 592 0.338E-01 0.109E-01
DAV: 14 -0.897259434205E+02 -0.30048E-02 -0.71956E-04 653 0.139E-01 0.618E-02
DAV: 15 -0.897291935251E+02 -0.32501E-02 -0.12080E-03 634 0.191E-01 0.440E-02
DAV: 16 -0.897312346395E+02 -0.20411E-02 -0.38896E-04 685 0.110E-01 0.227E-02
DAV: 17 -0.897317156063E+02 -0.48097E-03 -0.65943E-05 704 0.493E-02 0.133E-02
DAV: 18 -0.897324733946E+02 -0.75779E-03 -0.12736E-04 627 0.611E-02 0.131E-02
DAV: 19 -0.897326478086E+02 -0.17441E-03 -0.13013E-05 512 0.262E-02 0.103E-02
DAV: 20 -0.897327691408E+02 -0.12133E-03 -0.42748E-05 607 0.420E-02 0.722E-03
DAV: 21 -0.897328152820E+02 -0.46141E-04 -0.59678E-06 496 0.175E-02 0.534E-03
DAV: 22 -0.897328363624E+02 -0.21080E-04 -0.84125E-06 424 0.176E-02 0.263E-03
DAV: 23 -0.897328476129E+02 -0.11250E-04 -0.23349E-06 452 0.935E-03 0.216E-03
DAV: 24 -0.897328525211E+02 -0.49082E-05 -0.11874E-06 424 0.587E-03
1 F= -.89732853E+02 E0= -.89741985E+02 d E =0.273980E-01