iterations/neb0_image05_iter121_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 0.372000434193E+03 0.37200E+03 -0.14299E+04 632 0.799E+02
DAV: 2 0.480525398776E+01 -0.36720E+03 -0.35476E+03 866 0.194E+02
DAV: 3 -0.940310310912E+02 -0.98836E+02 -0.98455E+02 629 0.116E+02
DAV: 4 -0.988504427755E+02 -0.48194E+01 -0.48060E+01 720 0.304E+01
DAV: 5 -0.989530712477E+02 -0.10263E+00 -0.10257E+00 720 0.394E+00 0.219E+01
DAV: 6 -0.905925737242E+02 0.83605E+01 -0.28865E+01 672 0.288E+01 0.112E+01
DAV: 7 -0.897238839637E+02 0.86869E+00 -0.17840E+00 736 0.663E+00 0.469E+00
DAV: 8 -0.893330095902E+02 0.39087E+00 -0.61327E-01 712 0.446E+00 0.157E+00
DAV: 9 -0.892495859885E+02 0.83424E-01 -0.12991E-01 728 0.164E+00 0.444E-01
DAV: 10 -0.892383391483E+02 0.11247E-01 -0.47953E-02 725 0.120E+00 0.330E-01
DAV: 11 -0.892404109540E+02 -0.20718E-02 -0.93353E-03 653 0.553E-01 0.119E-01
DAV: 12 -0.892428173630E+02 -0.24064E-02 -0.36039E-03 671 0.313E-01 0.117E-01
DAV: 13 -0.892479473898E+02 -0.51300E-02 -0.14053E-03 781 0.279E-01 0.640E-02
DAV: 14 -0.892506811625E+02 -0.27338E-02 -0.94057E-04 656 0.140E-01 0.453E-02
DAV: 15 -0.892532930098E+02 -0.26118E-02 -0.41072E-04 698 0.120E-01 0.262E-02
DAV: 16 -0.892547658988E+02 -0.14729E-02 -0.18603E-04 666 0.631E-02 0.237E-02
DAV: 17 -0.892556663650E+02 -0.90047E-03 -0.13234E-04 711 0.680E-02 0.943E-03
DAV: 18 -0.892559974459E+02 -0.33108E-03 -0.35922E-05 680 0.304E-02 0.766E-03
DAV: 19 -0.892561218650E+02 -0.12442E-03 -0.12174E-05 463 0.202E-02 0.388E-03
DAV: 20 -0.892562032111E+02 -0.81346E-04 -0.19364E-05 509 0.232E-02 0.591E-03
DAV: 21 -0.892562268300E+02 -0.23619E-04 -0.43581E-06 496 0.127E-02 0.335E-03
DAV: 22 -0.892562292738E+02 -0.24438E-05 -0.27247E-06 536 0.887E-03
1 F= -.89256229E+02 E0= -.89261073E+02 d E =0.145303E-01