./iterations/neb0_image03_iter212_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 0.363218169147E+03 0.36322E+03 -0.14322E+04 632 0.799E+02
DAV: 2 -0.216620921789E+00 -0.36343E+03 -0.35374E+03 858 0.195E+02
DAV: 3 -0.960499504226E+02 -0.95833E+02 -0.95519E+02 672 0.115E+02
DAV: 4 -0.100249725759E+03 -0.41998E+01 -0.41887E+01 720 0.273E+01
DAV: 5 -0.100332553635E+03 -0.82828E-01 -0.82798E-01 736 0.343E+00 0.222E+01
DAV: 6 -0.917174310321E+02 0.86151E+01 -0.31014E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.908783217355E+02 0.83911E+00 -0.18057E+00 712 0.637E+00 0.485E+00
DAV: 8 -0.904817236642E+02 0.39660E+00 -0.57022E-01 696 0.436E+00 0.169E+00
DAV: 9 -0.903872924881E+02 0.94431E-01 -0.13661E-01 704 0.170E+00 0.440E-01
DAV: 10 -0.903795943020E+02 0.76982E-02 -0.55235E-02 720 0.137E+00 0.349E-01
DAV: 11 -0.903832637738E+02 -0.36695E-02 -0.84233E-03 624 0.570E-01 0.147E-01
DAV: 12 -0.903874136969E+02 -0.41499E-02 -0.90277E-03 618 0.476E-01 0.152E-01
DAV: 13 -0.903901272423E+02 -0.27135E-02 -0.21398E-03 917 0.385E-01 0.882E-02
DAV: 14 -0.903936204841E+02 -0.34932E-02 -0.17262E-03 645 0.216E-01 0.672E-02
DAV: 15 -0.903959860967E+02 -0.23656E-02 -0.38449E-04 661 0.932E-02 0.571E-02
DAV: 16 -0.903973770078E+02 -0.13909E-02 -0.56446E-04 656 0.146E-01 0.176E-02
DAV: 17 -0.903983544016E+02 -0.97739E-03 -0.15357E-04 664 0.617E-02 0.304E-02
DAV: 18 -0.903988843528E+02 -0.52995E-03 -0.87001E-05 645 0.516E-02 0.179E-02
DAV: 19 -0.903989945644E+02 -0.11021E-03 -0.81375E-05 712 0.496E-02 0.912E-03
DAV: 20 -0.903990474019E+02 -0.52837E-04 -0.87257E-06 448 0.220E-02 0.503E-03
DAV: 21 -0.903991040407E+02 -0.56639E-04 -0.15619E-05 477 0.203E-02 0.350E-03
DAV: 22 -0.903991171045E+02 -0.13064E-04 -0.22068E-06 496 0.132E-02 0.200E-03
DAV: 23 -0.903991203374E+02 -0.32328E-05 -0.22247E-06 480 0.766E-03
1 F= -.90399120E+02 E0= -.90404786E+02 d E =0.169977E-01