iterations/neb0_image04_iter172_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 0.363828595643E+03 0.36383E+03 -0.14358E+04 640 0.799E+02
DAV: 2 0.117945865051E+01 -0.36265E+03 -0.34982E+03 863 0.194E+02
DAV: 3 -0.960133989397E+02 -0.97193E+02 -0.96891E+02 663 0.115E+02
DAV: 4 -0.100258015603E+03 -0.42446E+01 -0.42344E+01 704 0.278E+01
DAV: 5 -0.100338039384E+03 -0.80024E-01 -0.79988E-01 736 0.347E+00 0.224E+01
DAV: 6 -0.916273984591E+02 0.87106E+01 -0.30961E+01 687 0.297E+01 0.117E+01
DAV: 7 -0.907563358841E+02 0.87106E+00 -0.17740E+00 704 0.628E+00 0.483E+00
DAV: 8 -0.903452741018E+02 0.41106E+00 -0.57307E-01 704 0.432E+00 0.165E+00
DAV: 9 -0.902515984936E+02 0.93676E-01 -0.12672E-01 712 0.187E+00 0.472E-01
DAV: 10 -0.902420628742E+02 0.95356E-02 -0.33081E-02 720 0.932E-01 0.334E-01
DAV: 11 -0.902444033084E+02 -0.23404E-02 -0.96791E-03 680 0.643E-01 0.212E-01
DAV: 12 -0.902462812815E+02 -0.18780E-02 -0.30814E-03 776 0.512E-01 0.114E-01
DAV: 13 -0.902505780511E+02 -0.42968E-02 -0.27169E-03 593 0.295E-01 0.960E-02
DAV: 14 -0.902543597760E+02 -0.37817E-02 -0.10557E-03 661 0.177E-01 0.357E-02
DAV: 15 -0.902570377489E+02 -0.26780E-02 -0.50752E-04 664 0.101E-01 0.344E-02
DAV: 16 -0.902592528855E+02 -0.22151E-02 -0.40752E-04 850 0.145E-01 0.281E-02
DAV: 17 -0.902601195485E+02 -0.86666E-03 -0.12279E-04 672 0.567E-02 0.256E-02
DAV: 18 -0.902605337727E+02 -0.41422E-03 -0.11378E-04 725 0.674E-02 0.800E-03
DAV: 19 -0.902607740359E+02 -0.24026E-03 -0.29598E-05 615 0.272E-02 0.525E-03
DAV: 20 -0.902608962878E+02 -0.12225E-03 -0.10221E-05 463 0.131E-02 0.516E-03
DAV: 21 -0.902609599531E+02 -0.63665E-04 -0.94255E-06 460 0.117E-02 0.245E-03
DAV: 22 -0.902609714171E+02 -0.11464E-04 -0.40653E-06 496 0.108E-02 0.165E-03
DAV: 23 -0.902609731905E+02 -0.17734E-05 -0.74115E-07 504 0.509E-03
1 F= -.90260973E+02 E0= -.90269480E+02 d E =0.255200E-01