iterations/neb0_image01_iter255_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 0.362828634061E+03 0.36283E+03 -0.14332E+04 632 0.799E+02
DAV: 2 0.394341546333E+01 -0.35889E+03 -0.34474E+03 823 0.195E+02
DAV: 3 -0.954886739418E+02 -0.99432E+02 -0.99076E+02 664 0.116E+02
DAV: 4 -0.100243458855E+03 -0.47548E+01 -0.47419E+01 704 0.294E+01
DAV: 5 -0.100336024225E+03 -0.92565E-01 -0.92528E-01 736 0.370E+00 0.222E+01
DAV: 6 -0.917036214567E+02 0.86324E+01 -0.30923E+01 677 0.299E+01 0.117E+01
DAV: 7 -0.908932394564E+02 0.81038E+00 -0.18336E+00 704 0.639E+00 0.485E+00
DAV: 8 -0.905143892604E+02 0.37885E+00 -0.55572E-01 704 0.431E+00 0.168E+00
DAV: 9 -0.904307055143E+02 0.83684E-01 -0.13497E-01 720 0.165E+00 0.425E-01
DAV: 10 -0.904259197484E+02 0.47858E-02 -0.46202E-02 728 0.124E+00 0.318E-01
DAV: 11 -0.904298131540E+02 -0.38934E-02 -0.66349E-03 608 0.505E-01 0.134E-01
DAV: 12 -0.904334416918E+02 -0.36285E-02 -0.71022E-03 634 0.488E-01 0.133E-01
DAV: 13 -0.904359611219E+02 -0.25194E-02 -0.16494E-03 885 0.316E-01 0.738E-02
DAV: 14 -0.904390092266E+02 -0.30481E-02 -0.12994E-03 642 0.172E-01 0.599E-02
DAV: 15 -0.904409416454E+02 -0.19324E-02 -0.37336E-04 680 0.111E-01 0.489E-02
DAV: 16 -0.904423758683E+02 -0.14342E-02 -0.83010E-04 666 0.173E-01 0.332E-02
DAV: 17 -0.904431135179E+02 -0.73765E-03 -0.12041E-04 672 0.750E-02 0.281E-02
DAV: 18 -0.904434114178E+02 -0.29790E-03 -0.11676E-04 661 0.565E-02 0.960E-03
DAV: 19 -0.904435541084E+02 -0.14269E-03 -0.34596E-05 517 0.309E-02 0.750E-03
DAV: 20 -0.904435854813E+02 -0.31373E-04 -0.50600E-06 488 0.150E-02 0.828E-03
DAV: 21 -0.904436167606E+02 -0.31279E-04 -0.67585E-06 425 0.181E-02 0.401E-03
DAV: 22 -0.904436217744E+02 -0.50138E-05 -0.54428E-06 496 0.129E-02
1 F= -.90443622E+02 E0= -.90449353E+02 d E =0.171941E-01