iterations/neb0_image03_iter293_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 0.363125786220E+03 0.36313E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.118269839491E+01 -0.36194E+03 -0.34940E+03 853 0.195E+02
DAV: 3 -0.958892496288E+02 -0.97072E+02 -0.96760E+02 664 0.115E+02
DAV: 4 -0.100279332101E+03 -0.43901E+01 -0.43810E+01 704 0.282E+01
DAV: 5 -0.100365185079E+03 -0.85853E-01 -0.85833E-01 736 0.354E+00 0.223E+01
DAV: 6 -0.916964527112E+02 0.86687E+01 -0.31436E+01 672 0.300E+01 0.117E+01
DAV: 7 -0.908647079857E+02 0.83174E+00 -0.17824E+00 704 0.631E+00 0.484E+00
DAV: 8 -0.904767662659E+02 0.38794E+00 -0.55341E-01 696 0.429E+00 0.170E+00
DAV: 9 -0.903883378158E+02 0.88428E-01 -0.13970E-01 712 0.173E+00 0.449E-01
DAV: 10 -0.903820245844E+02 0.63132E-02 -0.41128E-02 712 0.117E+00 0.324E-01
DAV: 11 -0.903851608773E+02 -0.31363E-02 -0.49228E-03 632 0.549E-01 0.136E-01
DAV: 12 -0.903885861532E+02 -0.34253E-02 -0.50344E-03 616 0.341E-01 0.106E-01
DAV: 13 -0.903930157799E+02 -0.44296E-02 -0.10528E-03 642 0.202E-01 0.732E-02
DAV: 14 -0.903966848020E+02 -0.36690E-02 -0.13719E-03 648 0.163E-01 0.463E-02
DAV: 15 -0.903987271701E+02 -0.20424E-02 -0.29160E-04 672 0.109E-01 0.185E-02
DAV: 16 -0.904001882489E+02 -0.14611E-02 -0.31797E-04 650 0.887E-02 0.294E-02
DAV: 17 -0.904004394183E+02 -0.25117E-03 -0.61552E-05 744 0.620E-02 0.130E-02
DAV: 18 -0.904009627050E+02 -0.52329E-03 -0.12232E-04 633 0.564E-02 0.131E-02
DAV: 19 -0.904010354023E+02 -0.72697E-04 -0.98668E-06 488 0.207E-02 0.962E-03
DAV: 20 -0.904011059860E+02 -0.70584E-04 -0.19773E-05 520 0.256E-02 0.269E-03
DAV: 21 -0.904011398239E+02 -0.33838E-04 -0.56304E-06 466 0.121E-02 0.270E-03
DAV: 22 -0.904011545245E+02 -0.14701E-04 -0.20908E-06 429 0.549E-03 0.266E-03
DAV: 23 -0.904011578711E+02 -0.33466E-05 -0.12299E-06 488 0.853E-03
1 F= -.90401158E+02 E0= -.90409670E+02 d E =0.255364E-01