iterations/neb0_image05_iter101_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 0.373421464711E+03 0.37342E+03 -0.14307E+04 632 0.799E+02
DAV: 2 0.319128624568E+01 -0.37023E+03 -0.35786E+03 890 0.194E+02
DAV: 3 -0.941665280683E+02 -0.97358E+02 -0.97001E+02 629 0.116E+02
DAV: 4 -0.988229522222E+02 -0.46564E+01 -0.46448E+01 704 0.299E+01
DAV: 5 -0.989237204658E+02 -0.10077E+00 -0.10072E+00 728 0.390E+00 0.219E+01
DAV: 6 -0.905606842351E+02 0.83630E+01 -0.28615E+01 690 0.288E+01 0.112E+01
DAV: 7 -0.896710414773E+02 0.88964E+00 -0.18192E+00 728 0.672E+00 0.469E+00
DAV: 8 -0.892765440287E+02 0.39450E+00 -0.63193E-01 712 0.454E+00 0.155E+00
DAV: 9 -0.891937469542E+02 0.82797E-01 -0.12515E-01 728 0.169E+00 0.451E-01
DAV: 10 -0.891816310652E+02 0.12116E-01 -0.52502E-02 728 0.124E+00 0.351E-01
DAV: 11 -0.891830752940E+02 -0.14442E-02 -0.12925E-02 632 0.651E-01 0.126E-01
DAV: 12 -0.891845473775E+02 -0.14721E-02 -0.33739E-03 696 0.325E-01 0.128E-01
DAV: 13 -0.891905169880E+02 -0.59696E-02 -0.36652E-03 679 0.406E-01 0.792E-02
DAV: 14 -0.891931507656E+02 -0.26338E-02 -0.88406E-04 688 0.161E-01 0.568E-02
DAV: 15 -0.891962530013E+02 -0.31022E-02 -0.13142E-03 634 0.208E-01 0.430E-02
DAV: 16 -0.891972021465E+02 -0.94915E-03 -0.15809E-04 760 0.851E-02 0.259E-02
DAV: 17 -0.891983793601E+02 -0.11772E-02 -0.24753E-04 628 0.807E-02 0.117E-02
DAV: 18 -0.891988644916E+02 -0.48513E-03 -0.43415E-05 608 0.363E-02 0.790E-03
DAV: 19 -0.891990418156E+02 -0.17732E-03 -0.26569E-05 536 0.268E-02 0.445E-03
DAV: 20 -0.891991437450E+02 -0.10193E-03 -0.14253E-05 430 0.168E-02 0.440E-03
DAV: 21 -0.891991554585E+02 -0.11713E-04 -0.20797E-06 504 0.821E-03 0.337E-03
DAV: 22 -0.891991646957E+02 -0.92372E-05 -0.52078E-06 409 0.148E-02
1 F= -.89199165E+02 E0= -.89203180E+02 d E =0.120457E-01