iterations/neb0_image03_iter26_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 0.366118319078E+03 0.36612E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.430934625833E+01 -0.36181E+03 -0.34870E+03 837 0.194E+02
DAV: 3 -0.953055746842E+02 -0.99615E+02 -0.99280E+02 685 0.116E+02
DAV: 4 -0.997658115910E+02 -0.44602E+01 -0.44482E+01 712 0.279E+01
DAV: 5 -0.998511883100E+02 -0.85377E-01 -0.85327E-01 736 0.348E+00 0.221E+01
DAV: 6 -0.912192255289E+02 0.86320E+01 -0.30876E+01 701 0.299E+01 0.115E+01
DAV: 7 -0.903841071108E+02 0.83512E+00 -0.18013E+00 712 0.635E+00 0.482E+00
DAV: 8 -0.899778282616E+02 0.40628E+00 -0.59622E-01 712 0.447E+00 0.165E+00
DAV: 9 -0.898834662031E+02 0.94362E-01 -0.13851E-01 712 0.175E+00 0.444E-01
DAV: 10 -0.898744468196E+02 0.90194E-02 -0.50161E-02 728 0.124E+00 0.336E-01
DAV: 11 -0.898781597677E+02 -0.37129E-02 -0.90355E-03 605 0.543E-01 0.122E-01
DAV: 12 -0.898812064267E+02 -0.30467E-02 -0.56638E-03 642 0.350E-01 0.138E-01
DAV: 13 -0.898840062975E+02 -0.27999E-02 -0.22772E-03 856 0.386E-01 0.760E-02
DAV: 14 -0.898876646476E+02 -0.36584E-02 -0.13250E-03 634 0.184E-01 0.624E-02
DAV: 15 -0.898900703876E+02 -0.24057E-02 -0.33336E-04 712 0.103E-01 0.449E-02
DAV: 16 -0.898915189231E+02 -0.14485E-02 -0.65303E-04 658 0.145E-01 0.322E-02
DAV: 17 -0.898923434821E+02 -0.82456E-03 -0.14351E-04 845 0.823E-02 0.164E-02
DAV: 18 -0.898926658141E+02 -0.32233E-03 -0.48739E-05 589 0.329E-02 0.899E-03
DAV: 19 -0.898928376758E+02 -0.17186E-03 -0.23648E-05 533 0.237E-02 0.427E-03
DAV: 20 -0.898928638514E+02 -0.26176E-04 -0.51885E-06 504 0.121E-02 0.511E-03
DAV: 21 -0.898929152929E+02 -0.51441E-04 -0.76679E-06 417 0.160E-02 0.251E-03
DAV: 22 -0.898929234996E+02 -0.82067E-05 -0.39090E-06 493 0.104E-02
1 F= -.89892923E+02 E0= -.89898524E+02 d E =0.168020E-01