./iterations/neb0_image03_iter151_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 0.364416384347E+03 0.36442E+03 -0.14316E+04 632 0.799E+02
DAV: 2 0.447798556367E+00 -0.36397E+03 -0.35364E+03 869 0.195E+02
DAV: 3 -0.960367375729E+02 -0.96485E+02 -0.96179E+02 680 0.115E+02
DAV: 4 -0.100160908956E+03 -0.41242E+01 -0.41145E+01 696 0.271E+01
DAV: 5 -0.100242172549E+03 -0.81264E-01 -0.81227E-01 736 0.341E+00 0.222E+01
DAV: 6 -0.916790320319E+02 0.85631E+01 -0.30673E+01 680 0.297E+01 0.116E+01
DAV: 7 -0.908431525420E+02 0.83588E+00 -0.17984E+00 704 0.638E+00 0.482E+00
DAV: 8 -0.904449262093E+02 0.39823E+00 -0.56336E-01 704 0.435E+00 0.168E+00
DAV: 9 -0.903503288459E+02 0.94597E-01 -0.12014E-01 720 0.192E+00 0.464E-01
DAV: 10 -0.903413988006E+02 0.89300E-02 -0.41043E-02 712 0.100E+00 0.349E-01
DAV: 11 -0.903433141615E+02 -0.19154E-02 -0.83211E-03 824 0.709E-01 0.170E-01
DAV: 12 -0.903454883860E+02 -0.21742E-02 -0.50235E-03 618 0.388E-01 0.126E-01
DAV: 13 -0.903502067573E+02 -0.47184E-02 -0.40687E-03 684 0.363E-01 0.923E-02
DAV: 14 -0.903552396187E+02 -0.50329E-02 -0.10768E-03 666 0.201E-01 0.517E-02
DAV: 15 -0.903565759626E+02 -0.13363E-02 -0.38359E-04 704 0.103E-01 0.257E-02
DAV: 16 -0.903584325990E+02 -0.18566E-02 -0.20657E-04 638 0.785E-02 0.128E-02
DAV: 17 -0.903592860354E+02 -0.85344E-03 -0.67735E-05 616 0.384E-02 0.929E-03
DAV: 18 -0.903597297355E+02 -0.44370E-03 -0.68484E-05 644 0.397E-02 0.865E-03
DAV: 19 -0.903598035421E+02 -0.73807E-04 -0.66182E-06 536 0.244E-02 0.353E-03
DAV: 20 -0.903599184125E+02 -0.11487E-03 -0.28070E-05 484 0.265E-02 0.665E-03
DAV: 21 -0.903599432153E+02 -0.24803E-04 -0.43157E-06 496 0.179E-02 0.256E-03
DAV: 22 -0.903599577109E+02 -0.14496E-04 -0.81288E-06 432 0.161E-02 0.316E-03
DAV: 23 -0.903599632520E+02 -0.55411E-05 -0.16654E-06 480 0.631E-03
1 F= -.90359963E+02 E0= -.90368862E+02 d E =0.266957E-01