iterations/neb0_image09_iter244_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 0.374248816250E+03 0.37425E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.331685864567E+01 -0.37093E+03 -0.35831E+03 869 0.196E+02
DAV: 3 -0.967646155697E+02 -0.10008E+03 -0.99753E+02 661 0.117E+02
DAV: 4 -0.101291118210E+03 -0.45265E+01 -0.45159E+01 720 0.287E+01
DAV: 5 -0.101379613251E+03 -0.88495E-01 -0.88456E-01 728 0.364E+00 0.227E+01
DAV: 6 -0.926869219583E+02 0.86927E+01 -0.30982E+01 720 0.301E+01 0.119E+01
DAV: 7 -0.918120319375E+02 0.87489E+00 -0.17194E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914352015986E+02 0.37683E+00 -0.54457E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913544468913E+02 0.80755E-01 -0.13244E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913463592035E+02 0.80877E-02 -0.44182E-02 760 0.109E+00 0.300E-01
DAV: 11 -0.913507093793E+02 -0.43502E-02 -0.11934E-02 608 0.569E-01 0.132E-01
DAV: 12 -0.913539617419E+02 -0.32524E-02 -0.28461E-03 623 0.244E-01 0.108E-01
DAV: 13 -0.913574341202E+02 -0.34724E-02 -0.13257E-03 685 0.198E-01 0.430E-02
DAV: 14 -0.913608125310E+02 -0.33784E-02 -0.70745E-04 656 0.152E-01 0.353E-02
DAV: 15 -0.913620097189E+02 -0.11972E-02 -0.12631E-04 752 0.773E-02 0.329E-02
DAV: 16 -0.913634889285E+02 -0.14792E-02 -0.35857E-04 642 0.982E-02 0.190E-02
DAV: 17 -0.913638600091E+02 -0.37108E-03 -0.71486E-05 744 0.629E-02 0.120E-02
DAV: 18 -0.913640895111E+02 -0.22950E-03 -0.33952E-05 565 0.251E-02 0.897E-03
DAV: 19 -0.913641824279E+02 -0.92917E-04 -0.11102E-05 488 0.162E-02 0.375E-03
DAV: 20 -0.913642161723E+02 -0.33744E-04 -0.69009E-06 432 0.159E-02 0.187E-03
DAV: 21 -0.913642319255E+02 -0.15753E-04 -0.30258E-06 445 0.777E-03 0.232E-03
DAV: 22 -0.913642350386E+02 -0.31131E-05 -0.61205E-07 496 0.448E-03
1 F= -.91364235E+02 E0= -.91369063E+02 d E =0.144839E-01