iterations/neb0_image07_iter2_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 0.367795067466E+03 0.36780E+03 -0.14280E+04 632 0.799E+02
DAV: 2 0.562956444621E+01 -0.36217E+03 -0.34967E+03 880 0.193E+02
DAV: 3 -0.922986394427E+02 -0.97928E+02 -0.97390E+02 648 0.115E+02
DAV: 4 -0.969440767330E+02 -0.46454E+01 -0.46303E+01 688 0.291E+01
DAV: 5 -0.970424183471E+02 -0.98342E-01 -0.98300E-01 728 0.377E+00 0.232E+01
DAV: 6 -0.876557724263E+02 0.93866E+01 -0.33398E+01 698 0.318E+01 0.121E+01
DAV: 7 -0.867957892349E+02 0.85998E+00 -0.19161E+00 720 0.746E+00 0.511E+00
DAV: 8 -0.863778577094E+02 0.41793E+00 -0.73044E-01 712 0.489E+00 0.173E+00
DAV: 9 -0.862915621080E+02 0.86296E-01 -0.15526E-01 760 0.207E+00 0.587E-01
DAV: 10 -0.862786309694E+02 0.12931E-01 -0.23555E-02 712 0.910E-01 0.295E-01
DAV: 11 -0.862764891200E+02 0.21418E-02 -0.94432E-03 720 0.591E-01 0.189E-01
DAV: 12 -0.862792767413E+02 -0.27876E-02 -0.61201E-03 680 0.552E-01 0.122E-01
DAV: 13 -0.862832461497E+02 -0.39694E-02 -0.19568E-03 647 0.266E-01 0.912E-02
DAV: 14 -0.862873952951E+02 -0.41491E-02 -0.23172E-03 625 0.255E-01 0.633E-02
DAV: 15 -0.862889786871E+02 -0.15834E-02 -0.37128E-04 688 0.138E-01 0.388E-02
DAV: 16 -0.862906465428E+02 -0.16679E-02 -0.47844E-04 676 0.125E-01 0.278E-02
DAV: 17 -0.862920927638E+02 -0.14462E-02 -0.14615E-04 666 0.678E-02 0.185E-02
DAV: 18 -0.862926977996E+02 -0.60504E-03 -0.84303E-05 730 0.524E-02 0.730E-03
DAV: 19 -0.862929739923E+02 -0.27619E-03 -0.20204E-05 477 0.228E-02 0.614E-03
DAV: 20 -0.862931261099E+02 -0.15212E-03 -0.15106E-05 445 0.161E-02 0.265E-03
DAV: 21 -0.862931860034E+02 -0.59893E-04 -0.80861E-06 463 0.115E-02 0.224E-03
DAV: 22 -0.862932080726E+02 -0.22069E-04 -0.32419E-06 423 0.788E-03 0.946E-04
DAV: 23 -0.862932103462E+02 -0.22736E-05 -0.11668E-06 509 0.503E-03
1 F= -.86293210E+02 E0= -.86297076E+02 d E =0.115970E-01