iterations/neb0_image08_iter241_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 0.374553473167E+03 0.37455E+03 -0.14288E+04 624 0.799E+02
DAV: 2 0.380037772071E+01 -0.37075E+03 -0.35833E+03 869 0.196E+02
DAV: 3 -0.968079875478E+02 -0.10061E+03 -0.10029E+03 672 0.117E+02
DAV: 4 -0.101313954662E+03 -0.45060E+01 -0.44936E+01 720 0.284E+01
DAV: 5 -0.101400656725E+03 -0.86702E-01 -0.86653E-01 736 0.358E+00 0.228E+01
DAV: 6 -0.926732737500E+02 0.87274E+01 -0.30990E+01 725 0.300E+01 0.119E+01
DAV: 7 -0.917905190734E+02 0.88275E+00 -0.17353E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914127174156E+02 0.37780E+00 -0.54328E-01 712 0.396E+00 0.162E+00
DAV: 9 -0.913331020601E+02 0.79615E-01 -0.13437E-01 736 0.156E+00 0.421E-01
DAV: 10 -0.913253863501E+02 0.77157E-02 -0.46687E-02 728 0.112E+00 0.308E-01
DAV: 11 -0.913304020279E+02 -0.50157E-02 -0.16124E-02 624 0.661E-01 0.163E-01
DAV: 12 -0.913331517456E+02 -0.27497E-02 -0.30451E-03 631 0.238E-01 0.116E-01
DAV: 13 -0.913368613047E+02 -0.37096E-02 -0.30558E-03 645 0.291E-01 0.610E-02
DAV: 14 -0.913399333294E+02 -0.30720E-02 -0.99667E-04 661 0.180E-01 0.283E-02
DAV: 15 -0.913413637795E+02 -0.14305E-02 -0.18583E-04 664 0.738E-02 0.169E-02
DAV: 16 -0.913424512723E+02 -0.10875E-02 -0.13611E-04 647 0.611E-02 0.990E-03
DAV: 17 -0.913428503012E+02 -0.39903E-03 -0.33974E-05 608 0.262E-02 0.944E-03
DAV: 18 -0.913430160228E+02 -0.16572E-03 -0.21589E-05 517 0.287E-02 0.387E-03
DAV: 19 -0.913430975273E+02 -0.81505E-04 -0.95629E-06 461 0.131E-02 0.350E-03
DAV: 20 -0.913431130752E+02 -0.15548E-04 -0.23746E-06 488 0.807E-03 0.167E-03
DAV: 21 -0.913431276761E+02 -0.14601E-04 -0.34630E-06 406 0.108E-02 0.233E-03
DAV: 22 -0.913431292364E+02 -0.15603E-05 -0.79863E-07 480 0.488E-03
1 F= -.91343129E+02 E0= -.91348189E+02 d E =0.151789E-01