./iterations/neb0_image04_iter96_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 0.370359972876E+03 0.37036E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.431024527339E+01 -0.36605E+03 -0.35308E+03 850 0.195E+02
DAV: 3 -0.954154156072E+02 -0.99726E+02 -0.99409E+02 685 0.116E+02
DAV: 4 -0.998058309964E+02 -0.43904E+01 -0.43798E+01 704 0.278E+01
DAV: 5 -0.998909842514E+02 -0.85153E-01 -0.85114E-01 728 0.349E+00 0.221E+01
DAV: 6 -0.914069808470E+02 0.84840E+01 -0.29994E+01 693 0.294E+01 0.116E+01
DAV: 7 -0.905590502556E+02 0.84793E+00 -0.17346E+00 712 0.626E+00 0.479E+00
DAV: 8 -0.901626158864E+02 0.39643E+00 -0.55483E-01 728 0.422E+00 0.165E+00
DAV: 9 -0.900679275364E+02 0.94688E-01 -0.13378E-01 720 0.175E+00 0.436E-01
DAV: 10 -0.900585991407E+02 0.93284E-02 -0.57223E-02 704 0.135E+00 0.349E-01
DAV: 11 -0.900626421564E+02 -0.40430E-02 -0.13846E-02 616 0.690E-01 0.139E-01
DAV: 12 -0.900646016582E+02 -0.19595E-02 -0.46273E-03 647 0.308E-01 0.137E-01
DAV: 13 -0.900682274632E+02 -0.36258E-02 -0.23460E-03 853 0.372E-01 0.749E-02
DAV: 14 -0.900717889926E+02 -0.35615E-02 -0.12571E-03 650 0.170E-01 0.639E-02
DAV: 15 -0.900740977820E+02 -0.23088E-02 -0.33149E-04 733 0.114E-01 0.372E-02
DAV: 16 -0.900757997658E+02 -0.17020E-02 -0.58246E-04 677 0.131E-01 0.322E-02
DAV: 17 -0.900767405764E+02 -0.94081E-03 -0.18076E-04 842 0.869E-02 0.148E-02
DAV: 18 -0.900770512306E+02 -0.31065E-03 -0.47194E-05 600 0.329E-02 0.730E-03
DAV: 19 -0.900772187388E+02 -0.16751E-03 -0.21792E-05 513 0.183E-02 0.493E-03
DAV: 20 -0.900772345001E+02 -0.15761E-04 -0.19220E-06 536 0.807E-03 0.401E-03
DAV: 21 -0.900772760755E+02 -0.41575E-04 -0.52420E-06 403 0.110E-02 0.179E-03
DAV: 22 -0.900772835545E+02 -0.74790E-05 -0.23449E-06 496 0.785E-03
1 F= -.90077284E+02 E0= -.90081289E+02 d E =0.120156E-01