iterations/neb0_image03_iter117_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 0.366612259960E+03 0.36661E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.222130711631E+01 -0.36439E+03 -0.35311E+03 861 0.195E+02
DAV: 3 -0.956926437944E+02 -0.97914E+02 -0.97605E+02 661 0.116E+02
DAV: 4 -0.100187687915E+03 -0.44950E+01 -0.44855E+01 712 0.285E+01
DAV: 5 -0.100277556075E+03 -0.89868E-01 -0.89833E-01 736 0.358E+00 0.222E+01
DAV: 6 -0.916837840577E+02 0.85938E+01 -0.30676E+01 680 0.296E+01 0.116E+01
DAV: 7 -0.908407842276E+02 0.84300E+00 -0.18230E+00 704 0.640E+00 0.482E+00
DAV: 8 -0.904379565059E+02 0.40283E+00 -0.56413E-01 704 0.433E+00 0.167E+00
DAV: 9 -0.903426694540E+02 0.95287E-01 -0.12946E-01 696 0.186E+00 0.457E-01
DAV: 10 -0.903341700764E+02 0.84994E-02 -0.39698E-02 712 0.101E+00 0.338E-01
DAV: 11 -0.903367307989E+02 -0.25607E-02 -0.75617E-03 741 0.632E-01 0.142E-01
DAV: 12 -0.903388624919E+02 -0.21317E-02 -0.39409E-03 626 0.340E-01 0.118E-01
DAV: 13 -0.903437780155E+02 -0.49155E-02 -0.35546E-03 680 0.366E-01 0.878E-02
DAV: 14 -0.903479707691E+02 -0.41928E-02 -0.88250E-04 647 0.185E-01 0.500E-02
DAV: 15 -0.903499246936E+02 -0.19539E-02 -0.57506E-04 712 0.132E-01 0.277E-02
DAV: 16 -0.903513733055E+02 -0.14486E-02 -0.14239E-04 693 0.768E-02 0.115E-02
DAV: 17 -0.903524284073E+02 -0.10551E-02 -0.12898E-04 664 0.429E-02 0.827E-03
DAV: 18 -0.903527193786E+02 -0.29097E-03 -0.34443E-05 592 0.272E-02 0.494E-03
DAV: 19 -0.903528151610E+02 -0.95782E-04 -0.86316E-06 472 0.133E-02 0.463E-03
DAV: 20 -0.903528539333E+02 -0.38772E-04 -0.50025E-06 445 0.115E-02 0.186E-03
DAV: 21 -0.903528666097E+02 -0.12676E-04 -0.32189E-06 480 0.932E-03 0.194E-03
DAV: 22 -0.903528698837E+02 -0.32740E-05 -0.95761E-07 480 0.774E-03
1 F= -.90352870E+02 E0= -.90361434E+02 d E =0.256922E-01