iterations/neb0_image02_iter281_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 0.365236303545E+03 0.36524E+03 -0.14293E+04 624 0.799E+02
DAV: 2 0.234580896893E+01 -0.36289E+03 -0.35058E+03 853 0.195E+02
DAV: 3 -0.954703712850E+02 -0.97816E+02 -0.97474E+02 640 0.116E+02
DAV: 4 -0.100212194003E+03 -0.47418E+01 -0.47305E+01 712 0.297E+01
DAV: 5 -0.100306545432E+03 -0.94351E-01 -0.94316E-01 720 0.376E+00 0.222E+01
DAV: 6 -0.916649210519E+02 0.86416E+01 -0.30883E+01 677 0.299E+01 0.117E+01
DAV: 7 -0.908488063746E+02 0.81611E+00 -0.18017E+00 712 0.634E+00 0.485E+00
DAV: 8 -0.904705706040E+02 0.37824E+00 -0.55058E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.903874045014E+02 0.83166E-01 -0.13201E-01 720 0.170E+00 0.425E-01
DAV: 10 -0.903834979815E+02 0.39065E-02 -0.47389E-02 712 0.121E+00 0.329E-01
DAV: 11 -0.903878365375E+02 -0.43386E-02 -0.95014E-03 621 0.691E-01 0.113E-01
DAV: 12 -0.903902991746E+02 -0.24626E-02 -0.54351E-03 640 0.361E-01 0.127E-01
DAV: 13 -0.903930832280E+02 -0.27841E-02 -0.17954E-03 797 0.318E-01 0.826E-02
DAV: 14 -0.903962357348E+02 -0.31525E-02 -0.13483E-03 631 0.182E-01 0.736E-02
DAV: 15 -0.903977714691E+02 -0.15357E-02 -0.29019E-04 808 0.119E-01 0.439E-02
DAV: 16 -0.903991914861E+02 -0.14200E-02 -0.82549E-04 664 0.173E-01 0.383E-02
DAV: 17 -0.903997834170E+02 -0.59193E-03 -0.14669E-04 752 0.859E-02 0.262E-02
DAV: 18 -0.903998639990E+02 -0.80582E-04 -0.28965E-05 648 0.294E-02 0.186E-02
DAV: 19 -0.904001775115E+02 -0.31351E-03 -0.66433E-05 630 0.450E-02 0.119E-02
DAV: 20 -0.904002351107E+02 -0.57599E-04 -0.16508E-05 568 0.290E-02 0.583E-03
DAV: 21 -0.904002692569E+02 -0.34146E-04 -0.99561E-06 426 0.188E-02 0.477E-03
DAV: 22 -0.904003039604E+02 -0.34703E-04 -0.64387E-06 450 0.125E-02 0.419E-03
DAV: 23 -0.904003115888E+02 -0.76285E-05 -0.18089E-06 488 0.790E-03
1 F= -.90400312E+02 E0= -.90407539E+02 d E =0.216815E-01