iterations/neb0_image07_iter292_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 0.373122767520E+03 0.37312E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.419354414277E+01 -0.36893E+03 -0.35804E+03 858 0.194E+02
DAV: 3 -0.964158812787E+02 -0.10061E+03 -0.10027E+03 656 0.117E+02
DAV: 4 -0.101251898772E+03 -0.48360E+01 -0.48233E+01 720 0.294E+01
DAV: 5 -0.101348029771E+03 -0.96131E-01 -0.96090E-01 728 0.372E+00 0.229E+01
DAV: 6 -0.926241706081E+02 0.87239E+01 -0.31020E+01 717 0.301E+01 0.120E+01
DAV: 7 -0.917426967978E+02 0.88147E+00 -0.17291E+00 720 0.615E+00 0.479E+00
DAV: 8 -0.913634312434E+02 0.37927E+00 -0.53176E-01 736 0.391E+00 0.163E+00
DAV: 9 -0.912781513721E+02 0.85280E-01 -0.12973E-01 736 0.152E+00 0.423E-01
DAV: 10 -0.912686380090E+02 0.95134E-02 -0.46135E-02 776 0.110E+00 0.303E-01
DAV: 11 -0.912737470319E+02 -0.51090E-02 -0.14832E-02 618 0.639E-01 0.163E-01
DAV: 12 -0.912763073679E+02 -0.25603E-02 -0.28722E-03 623 0.238E-01 0.111E-01
DAV: 13 -0.912805644781E+02 -0.42571E-02 -0.32705E-03 638 0.289E-01 0.654E-02
DAV: 14 -0.912835566523E+02 -0.29922E-02 -0.10745E-03 688 0.198E-01 0.309E-02
DAV: 15 -0.912855896536E+02 -0.20330E-02 -0.28526E-04 655 0.790E-02 0.249E-02
DAV: 16 -0.912864726035E+02 -0.88295E-03 -0.11389E-04 680 0.681E-02 0.158E-02
DAV: 17 -0.912870405347E+02 -0.56793E-03 -0.14136E-04 637 0.569E-02 0.160E-02
DAV: 18 -0.912871499743E+02 -0.10944E-03 -0.18818E-05 624 0.337E-02 0.565E-03
DAV: 19 -0.912872481893E+02 -0.98215E-04 -0.32454E-05 540 0.294E-02 0.623E-03
DAV: 20 -0.912872641826E+02 -0.15993E-04 -0.21387E-06 504 0.102E-02 0.496E-03
DAV: 21 -0.912872740475E+02 -0.98649E-05 -0.32030E-06 415 0.112E-02
1 F= -.91287274E+02 E0= -.91292068E+02 d E =0.143807E-01