./iterations/neb0_image04_iter4_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 0.362834010228E+03 0.36283E+03 -0.14215E+04 624 0.799E+02
DAV: 2 0.645427159998E+01 -0.35638E+03 -0.34392E+03 850 0.193E+02
DAV: 3 -0.914485332052E+02 -0.97903E+02 -0.97367E+02 701 0.115E+02
DAV: 4 -0.960292193209E+02 -0.45807E+01 -0.45643E+01 712 0.274E+01
DAV: 5 -0.961282885888E+02 -0.99069E-01 -0.99026E-01 736 0.352E+00 0.220E+01
DAV: 6 -0.876096639623E+02 0.85186E+01 -0.31042E+01 693 0.302E+01 0.115E+01
DAV: 7 -0.867718946943E+02 0.83777E+00 -0.17259E+00 712 0.725E+00 0.489E+00
DAV: 8 -0.863883016723E+02 0.38359E+00 -0.75783E-01 704 0.472E+00 0.164E+00
DAV: 9 -0.863208431260E+02 0.67459E-01 -0.13439E-01 720 0.176E+00 0.518E-01
DAV: 10 -0.863125205806E+02 0.83225E-02 -0.32560E-02 760 0.102E+00 0.284E-01
DAV: 11 -0.863135832875E+02 -0.10627E-02 -0.62695E-03 672 0.460E-01 0.177E-01
DAV: 12 -0.863170532234E+02 -0.34699E-02 -0.63950E-03 660 0.426E-01 0.121E-01
DAV: 13 -0.863214804751E+02 -0.44273E-02 -0.16241E-03 705 0.264E-01 0.751E-02
DAV: 14 -0.863243176962E+02 -0.28372E-02 -0.18292E-03 666 0.200E-01 0.658E-02
DAV: 15 -0.863260691260E+02 -0.17514E-02 -0.82753E-04 669 0.185E-01 0.364E-02
DAV: 16 -0.863274582820E+02 -0.13892E-02 -0.30415E-04 669 0.101E-01 0.288E-02
DAV: 17 -0.863281965631E+02 -0.73828E-03 -0.10123E-04 720 0.598E-02 0.156E-02
DAV: 18 -0.863287767691E+02 -0.58021E-03 -0.14587E-04 653 0.706E-02 0.156E-02
DAV: 19 -0.863289816048E+02 -0.20484E-03 -0.23089E-05 565 0.330E-02 0.993E-03
DAV: 20 -0.863290624000E+02 -0.80795E-04 -0.32931E-05 554 0.291E-02 0.356E-03
DAV: 21 -0.863290952275E+02 -0.32827E-04 -0.34274E-06 482 0.138E-02 0.156E-03
DAV: 22 -0.863291212966E+02 -0.26069E-04 -0.42705E-06 415 0.798E-03 0.164E-03
DAV: 23 -0.863291254144E+02 -0.41178E-05 -0.66475E-07 504 0.541E-03
1 F= -.86329125E+02 E0= -.86332994E+02 d E =0.116045E-01