iterations/neb0_image08_iter50_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 0.375172539168E+03 0.37517E+03 -0.14274E+04 624 0.799E+02
DAV: 2 0.372034175371E+01 -0.37145E+03 -0.35778E+03 869 0.196E+02
DAV: 3 -0.965517445305E+02 -0.10027E+03 -0.99939E+02 680 0.117E+02
DAV: 4 -0.101009835550E+03 -0.44581E+01 -0.44481E+01 688 0.280E+01
DAV: 5 -0.101098830533E+03 -0.88995E-01 -0.88954E-01 736 0.355E+00 0.226E+01
DAV: 6 -0.925314453279E+02 0.85674E+01 -0.30770E+01 701 0.302E+01 0.118E+01
DAV: 7 -0.916798586240E+02 0.85159E+00 -0.16723E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.913021728148E+02 0.37769E+00 -0.55932E-01 704 0.404E+00 0.162E+00
DAV: 9 -0.912183103675E+02 0.83862E-01 -0.12779E-01 704 0.154E+00 0.424E-01
DAV: 10 -0.912087042259E+02 0.96061E-02 -0.47710E-02 728 0.111E+00 0.310E-01
DAV: 11 -0.912138494404E+02 -0.51452E-02 -0.15546E-02 616 0.639E-01 0.175E-01
DAV: 12 -0.912164534165E+02 -0.26040E-02 -0.30771E-03 628 0.241E-01 0.134E-01
DAV: 13 -0.912205978264E+02 -0.41444E-02 -0.30014E-03 669 0.304E-01 0.569E-02
DAV: 14 -0.912233347245E+02 -0.27369E-02 -0.47893E-04 656 0.123E-01 0.355E-02
DAV: 15 -0.912255463737E+02 -0.22116E-02 -0.21405E-04 645 0.590E-02 0.275E-02
DAV: 16 -0.912264767966E+02 -0.93042E-03 -0.17278E-04 669 0.636E-02 0.134E-02
DAV: 17 -0.912269690639E+02 -0.49227E-03 -0.36195E-05 586 0.275E-02 0.138E-02
DAV: 18 -0.912271765093E+02 -0.20745E-03 -0.30552E-05 536 0.259E-02 0.561E-03
DAV: 19 -0.912272239255E+02 -0.47416E-04 -0.57496E-06 488 0.151E-02 0.232E-03
DAV: 20 -0.912272567190E+02 -0.32794E-04 -0.67229E-06 401 0.144E-02 0.337E-03
DAV: 21 -0.912272692756E+02 -0.12557E-04 -0.19081E-06 472 0.800E-03 0.286E-03
DAV: 22 -0.912272704970E+02 -0.12214E-05 -0.12025E-06 536 0.690E-03
1 F= -.91227270E+02 E0= -.91232098E+02 d E =0.144834E-01