./iterations/neb0_image03_iter158_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 0.364540283269E+03 0.36454E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.350746457968E+00 -0.36419E+03 -0.35393E+03 869 0.195E+02
DAV: 3 -0.961007896938E+02 -0.96452E+02 -0.96147E+02 677 0.115E+02
DAV: 4 -0.100203551989E+03 -0.41028E+01 -0.40930E+01 704 0.270E+01
DAV: 5 -0.100283840278E+03 -0.80288E-01 -0.80252E-01 736 0.340E+00 0.222E+01
DAV: 6 -0.916790992310E+02 0.86047E+01 -0.30809E+01 680 0.298E+01 0.116E+01
DAV: 7 -0.908491385651E+02 0.82996E+00 -0.18275E+00 696 0.634E+00 0.482E+00
DAV: 8 -0.904540464321E+02 0.39509E+00 -0.53638E-01 704 0.421E+00 0.168E+00
DAV: 9 -0.903571219710E+02 0.96924E-01 -0.13770E-01 704 0.184E+00 0.432E-01
DAV: 10 -0.903492712652E+02 0.78507E-02 -0.44336E-02 696 0.111E+00 0.336E-01
DAV: 11 -0.903549144987E+02 -0.56432E-02 -0.17360E-02 605 0.849E-01 0.202E-01
DAV: 12 -0.903555458764E+02 -0.63138E-03 -0.45368E-03 648 0.382E-01 0.163E-01
DAV: 13 -0.903592734606E+02 -0.37276E-02 -0.69165E-03 629 0.562E-01 0.103E-01
DAV: 14 -0.903621036972E+02 -0.28302E-02 -0.12877E-03 661 0.234E-01 0.840E-02
DAV: 15 -0.903644338412E+02 -0.23301E-02 -0.85739E-04 722 0.201E-01 0.346E-02
DAV: 16 -0.903661484578E+02 -0.17146E-02 -0.49050E-04 712 0.156E-01 0.371E-02
DAV: 17 -0.903671457372E+02 -0.99728E-03 -0.18867E-04 781 0.143E-01 0.306E-02
DAV: 18 -0.903675894580E+02 -0.44372E-03 -0.19781E-04 720 0.136E-01 0.189E-02
DAV: 19 -0.903677311382E+02 -0.14168E-03 -0.18115E-04 784 0.117E-01 0.137E-02
DAV: 20 -0.903677792917E+02 -0.48154E-04 -0.57875E-05 639 0.105E-01 0.161E-02
DAV: 21 -0.903677959308E+02 -0.16639E-04 -0.82068E-05 720 0.855E-02 0.184E-02
DAV: 22 -0.903678336653E+02 -0.37734E-04 -0.65664E-05 653 0.486E-02 0.106E-02
DAV: 23 -0.903678382760E+02 -0.46107E-05 -0.51078E-06 512 0.140E-02
1 F= -.90367838E+02 E0= -.90372756E+02 d E =0.147524E-01