iterations/neb0_image05_iter217_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 0.368962862964E+03 0.36896E+03 -0.14308E+04 624 0.799E+02
DAV: 2 0.406216161515E+01 -0.36490E+03 -0.35060E+03 848 0.195E+02
DAV: 3 -0.956771661475E+02 -0.99739E+02 -0.99399E+02 677 0.117E+02
DAV: 4 -0.100133739400E+03 -0.44566E+01 -0.44464E+01 720 0.282E+01
DAV: 5 -0.100219385011E+03 -0.85646E-01 -0.85612E-01 728 0.349E+00 0.223E+01
DAV: 6 -0.916191131673E+02 0.86003E+01 -0.30986E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.907845834687E+02 0.83453E+00 -0.17352E+00 720 0.623E+00 0.483E+00
DAV: 8 -0.904058061516E+02 0.37878E+00 -0.54937E-01 728 0.425E+00 0.164E+00
DAV: 9 -0.903230994267E+02 0.82707E-01 -0.13279E-01 720 0.168E+00 0.435E-01
DAV: 10 -0.903165350951E+02 0.65643E-02 -0.46106E-02 757 0.127E+00 0.321E-01
DAV: 11 -0.903196232202E+02 -0.30881E-02 -0.72921E-03 616 0.553E-01 0.139E-01
DAV: 12 -0.903222572974E+02 -0.26341E-02 -0.67060E-03 618 0.481E-01 0.122E-01
DAV: 13 -0.903251455541E+02 -0.28883E-02 -0.15136E-03 864 0.296E-01 0.820E-02
DAV: 14 -0.903283114221E+02 -0.31659E-02 -0.13863E-03 652 0.161E-01 0.571E-02
DAV: 15 -0.903306646131E+02 -0.23532E-02 -0.41494E-04 696 0.118E-01 0.413E-02
DAV: 16 -0.903325818775E+02 -0.19173E-02 -0.80976E-04 661 0.162E-01 0.379E-02
DAV: 17 -0.903332835087E+02 -0.70163E-03 -0.14692E-04 808 0.868E-02 0.234E-02
DAV: 18 -0.903334159189E+02 -0.13241E-03 -0.54098E-05 701 0.384E-02 0.109E-02
DAV: 19 -0.903337303923E+02 -0.31447E-03 -0.63920E-05 620 0.410E-02 0.840E-03
DAV: 20 -0.903337767545E+02 -0.46362E-04 -0.53661E-06 496 0.155E-02 0.594E-03
DAV: 21 -0.903338224697E+02 -0.45715E-04 -0.11485E-05 426 0.186E-02 0.384E-03
DAV: 22 -0.903338342808E+02 -0.11811E-04 -0.31304E-06 496 0.884E-03 0.273E-03
DAV: 23 -0.903338373162E+02 -0.30354E-05 -0.14392E-06 426 0.761E-03
1 F= -.90333837E+02 E0= -.90338840E+02 d E =0.150076E-01