iterations/neb0_image05_iter133_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 0.369249254403E+03 0.36925E+03 -0.14340E+04 640 0.799E+02
DAV: 2 0.402282511575E+01 -0.36523E+03 -0.35232E+03 866 0.193E+02
DAV: 3 -0.942692278525E+02 -0.98292E+02 -0.97898E+02 640 0.116E+02
DAV: 4 -0.990477767298E+02 -0.47785E+01 -0.47646E+01 728 0.298E+01
DAV: 5 -0.991485035516E+02 -0.10073E+00 -0.10068E+00 728 0.384E+00 0.221E+01
DAV: 6 -0.906683793737E+02 0.84801E+01 -0.29337E+01 680 0.293E+01 0.114E+01
DAV: 7 -0.897930609520E+02 0.87532E+00 -0.17942E+00 728 0.660E+00 0.472E+00
DAV: 8 -0.894029642612E+02 0.39010E+00 -0.58867E-01 720 0.436E+00 0.162E+00
DAV: 9 -0.893143018862E+02 0.88662E-01 -0.14004E-01 728 0.167E+00 0.442E-01
DAV: 10 -0.893042912103E+02 0.10011E-01 -0.32522E-02 789 0.981E-01 0.296E-01
DAV: 11 -0.893065052913E+02 -0.22141E-02 -0.68005E-03 637 0.432E-01 0.140E-01
DAV: 12 -0.893079183347E+02 -0.14130E-02 -0.10039E-03 712 0.216E-01 0.100E-01
DAV: 13 -0.893126312956E+02 -0.47130E-02 -0.25126E-03 622 0.297E-01 0.794E-02
DAV: 14 -0.893156663563E+02 -0.30351E-02 -0.45653E-04 752 0.140E-01 0.451E-02
DAV: 15 -0.893185169796E+02 -0.28506E-02 -0.73936E-04 609 0.153E-01 0.339E-02
DAV: 16 -0.893198103820E+02 -0.12934E-02 -0.11308E-04 821 0.793E-02 0.211E-02
DAV: 17 -0.893213960177E+02 -0.15856E-02 -0.31282E-04 625 0.995E-02 0.211E-02
DAV: 18 -0.893218284718E+02 -0.43245E-03 -0.42351E-05 679 0.500E-02 0.119E-02
DAV: 19 -0.893220199735E+02 -0.19150E-03 -0.57176E-05 664 0.409E-02 0.675E-03
DAV: 20 -0.893221398524E+02 -0.11988E-03 -0.98612E-06 433 0.241E-02 0.240E-03
DAV: 21 -0.893221957096E+02 -0.55857E-04 -0.12736E-05 485 0.150E-02 0.385E-03
DAV: 22 -0.893222060333E+02 -0.10324E-04 -0.16065E-06 512 0.870E-03 0.232E-03
DAV: 23 -0.893222103011E+02 -0.42678E-05 -0.29454E-06 410 0.117E-02
1 F= -.89322210E+02 E0= -.89330492E+02 d E =0.248449E-01