./iterations/neb0_image04_iter191_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 0.363239112390E+03 0.36324E+03 -0.14357E+04 640 0.799E+02
DAV: 2 0.112116418934E+01 -0.36212E+03 -0.34932E+03 861 0.193E+02
DAV: 3 -0.961864326246E+02 -0.97308E+02 -0.97011E+02 685 0.115E+02
DAV: 4 -0.100284286692E+03 -0.40979E+01 -0.40880E+01 696 0.268E+01
DAV: 5 -0.100362009103E+03 -0.77722E-01 -0.77696E-01 728 0.334E+00 0.224E+01
DAV: 6 -0.916493597754E+02 0.87126E+01 -0.31137E+01 690 0.298E+01 0.116E+01
DAV: 7 -0.907853906140E+02 0.86397E+00 -0.17852E+00 704 0.630E+00 0.483E+00
DAV: 8 -0.903753259584E+02 0.41006E+00 -0.56559E-01 712 0.425E+00 0.165E+00
DAV: 9 -0.902810477368E+02 0.94278E-01 -0.12528E-01 720 0.189E+00 0.476E-01
DAV: 10 -0.902717512369E+02 0.92965E-02 -0.29486E-02 709 0.881E-01 0.325E-01
DAV: 11 -0.902738322295E+02 -0.20810E-02 -0.11458E-02 672 0.623E-01 0.226E-01
DAV: 12 -0.902759927699E+02 -0.21605E-02 -0.29291E-03 776 0.527E-01 0.121E-01
DAV: 13 -0.902801762853E+02 -0.41835E-02 -0.26431E-03 609 0.307E-01 0.960E-02
DAV: 14 -0.902838943619E+02 -0.37181E-02 -0.11513E-03 642 0.177E-01 0.392E-02
DAV: 15 -0.902865981842E+02 -0.27038E-02 -0.47689E-04 664 0.101E-01 0.332E-02
DAV: 16 -0.902889711198E+02 -0.23729E-02 -0.39066E-04 724 0.132E-01 0.256E-02
DAV: 17 -0.902897210844E+02 -0.74996E-03 -0.89051E-05 672 0.541E-02 0.199E-02
DAV: 18 -0.902901474767E+02 -0.42639E-03 -0.14575E-04 730 0.792E-02 0.129E-02
DAV: 19 -0.902903788411E+02 -0.23136E-03 -0.30165E-05 567 0.345E-02 0.881E-03
DAV: 20 -0.902904907760E+02 -0.11193E-03 -0.16916E-05 496 0.188E-02 0.467E-03
DAV: 21 -0.902905619507E+02 -0.71175E-04 -0.12796E-05 444 0.167E-02 0.158E-03
DAV: 22 -0.902905772665E+02 -0.15316E-04 -0.32659E-06 496 0.747E-03 0.178E-03
DAV: 23 -0.902905797784E+02 -0.25118E-05 -0.64378E-07 472 0.457E-03
1 F= -.90290580E+02 E0= -.90299055E+02 d E =0.254256E-01