iterations/neb0_image02_iter15_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 0.365694268329E+03 0.36569E+03 -0.14287E+04 624 0.799E+02
DAV: 2 0.444943677970E+01 -0.36124E+03 -0.34729E+03 839 0.195E+02
DAV: 3 -0.952419735191E+02 -0.99691E+02 -0.99342E+02 688 0.116E+02
DAV: 4 -0.997206040497E+02 -0.44786E+01 -0.44668E+01 696 0.277E+01
DAV: 5 -0.998069974708E+02 -0.86393E-01 -0.86344E-01 736 0.345E+00 0.220E+01
DAV: 6 -0.910189997424E+02 0.87880E+01 -0.31768E+01 696 0.303E+01 0.115E+01
DAV: 7 -0.902402369172E+02 0.77876E+00 -0.18623E+00 720 0.637E+00 0.482E+00
DAV: 8 -0.898606878921E+02 0.37955E+00 -0.55700E-01 704 0.430E+00 0.174E+00
DAV: 9 -0.897659729301E+02 0.94715E-01 -0.14213E-01 712 0.166E+00 0.434E-01
DAV: 10 -0.897589660427E+02 0.70069E-02 -0.40965E-02 728 0.106E+00 0.307E-01
DAV: 11 -0.897636057253E+02 -0.46397E-02 -0.77224E-03 632 0.549E-01 0.112E-01
DAV: 12 -0.897662573884E+02 -0.26517E-02 -0.38198E-03 632 0.277E-01 0.116E-01
DAV: 13 -0.897698868194E+02 -0.36294E-02 -0.22078E-03 842 0.362E-01 0.818E-02
DAV: 14 -0.897723206663E+02 -0.24338E-02 -0.86174E-04 658 0.136E-01 0.592E-02
DAV: 15 -0.897746036399E+02 -0.22830E-02 -0.76848E-04 680 0.169E-01 0.298E-02
DAV: 16 -0.897756151844E+02 -0.10115E-02 -0.13632E-04 696 0.701E-02 0.229E-02
DAV: 17 -0.897763437031E+02 -0.72852E-03 -0.11364E-04 722 0.637E-02 0.112E-02
DAV: 18 -0.897767698839E+02 -0.42618E-03 -0.54291E-05 658 0.344E-02 0.754E-03
DAV: 19 -0.897768827805E+02 -0.11290E-03 -0.93584E-06 464 0.216E-02 0.453E-03
DAV: 20 -0.897769783898E+02 -0.95609E-04 -0.24795E-05 486 0.232E-02 0.614E-03
DAV: 21 -0.897769849740E+02 -0.65843E-05 -0.25503E-06 536 0.149E-02
1 F= -.89776985E+02 E0= -.89782010E+02 d E =0.150763E-01