./iterations/neb0_image07_iter272_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 0.371362083330E+03 0.37136E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.360364058023E+01 -0.36776E+03 -0.35651E+03 866 0.194E+02
DAV: 3 -0.963058292810E+02 -0.99909E+02 -0.99594E+02 656 0.116E+02
DAV: 4 -0.101158294565E+03 -0.48525E+01 -0.48393E+01 712 0.297E+01
DAV: 5 -0.101255629946E+03 -0.97335E-01 -0.97290E-01 720 0.380E+00 0.227E+01
DAV: 6 -0.926184788919E+02 0.86372E+01 -0.30957E+01 701 0.299E+01 0.119E+01
DAV: 7 -0.917585391590E+02 0.85994E+00 -0.16990E+00 736 0.612E+00 0.480E+00
DAV: 8 -0.913830284183E+02 0.37551E+00 -0.54849E-01 736 0.400E+00 0.161E+00
DAV: 9 -0.913011118637E+02 0.81917E-01 -0.12688E-01 728 0.152E+00 0.421E-01
DAV: 10 -0.912920446719E+02 0.90672E-02 -0.43526E-02 741 0.105E+00 0.296E-01
DAV: 11 -0.912969656165E+02 -0.49209E-02 -0.12905E-02 613 0.582E-01 0.151E-01
DAV: 12 -0.913000375612E+02 -0.30719E-02 -0.28324E-03 615 0.232E-01 0.104E-01
DAV: 13 -0.913038813710E+02 -0.38438E-02 -0.20092E-03 638 0.233E-01 0.490E-02
DAV: 14 -0.913072066511E+02 -0.33253E-02 -0.74081E-04 653 0.167E-01 0.284E-02
DAV: 15 -0.913085472322E+02 -0.13406E-02 -0.17376E-04 680 0.733E-02 0.238E-02
DAV: 16 -0.913095737347E+02 -0.10265E-02 -0.23464E-04 682 0.968E-02 0.174E-02
DAV: 17 -0.913100678025E+02 -0.49407E-03 -0.49299E-05 669 0.396E-02 0.141E-02
DAV: 18 -0.913102124052E+02 -0.14460E-03 -0.26195E-05 544 0.295E-02 0.737E-03
DAV: 19 -0.913103824553E+02 -0.17005E-03 -0.23112E-05 497 0.227E-02 0.287E-03
DAV: 20 -0.913104041245E+02 -0.21669E-04 -0.21818E-06 512 0.743E-03 0.245E-03
DAV: 21 -0.913104311933E+02 -0.27069E-04 -0.42989E-06 406 0.133E-02 0.195E-03
DAV: 22 -0.913104353768E+02 -0.41835E-05 -0.10025E-06 496 0.585E-03
1 F= -.91310435E+02 E0= -.91315130E+02 d E =0.140844E-01