iterations/neb0_image09_iter245_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 0.374235488463E+03 0.37424E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.331171819213E+01 -0.37092E+03 -0.35830E+03 869 0.196E+02
DAV: 3 -0.967650165495E+02 -0.10008E+03 -0.99748E+02 661 0.117E+02
DAV: 4 -0.101290632351E+03 -0.45256E+01 -0.45150E+01 720 0.287E+01
DAV: 5 -0.101379123220E+03 -0.88491E-01 -0.88452E-01 728 0.364E+00 0.227E+01
DAV: 6 -0.926871811104E+02 0.86919E+01 -0.30980E+01 720 0.301E+01 0.119E+01
DAV: 7 -0.918122297493E+02 0.87495E+00 -0.17184E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914353589765E+02 0.37687E+00 -0.54483E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913546216759E+02 0.80737E-01 -0.13239E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913465293303E+02 0.80923E-02 -0.44208E-02 760 0.109E+00 0.301E-01
DAV: 11 -0.913508882804E+02 -0.43590E-02 -0.11977E-02 608 0.570E-01 0.132E-01
DAV: 12 -0.913541317981E+02 -0.32435E-02 -0.28480E-03 623 0.243E-01 0.108E-01
DAV: 13 -0.913576055464E+02 -0.34737E-02 -0.13318E-03 685 0.198E-01 0.425E-02
DAV: 14 -0.913609473349E+02 -0.33418E-02 -0.68198E-04 656 0.148E-01 0.348E-02
DAV: 15 -0.913622043755E+02 -0.12570E-02 -0.12373E-04 768 0.747E-02 0.323E-02
DAV: 16 -0.913636708627E+02 -0.14665E-02 -0.34339E-04 642 0.946E-02 0.181E-02
DAV: 17 -0.913640525729E+02 -0.38171E-03 -0.64053E-05 712 0.587E-02 0.124E-02
DAV: 18 -0.913642720304E+02 -0.21946E-03 -0.34158E-05 565 0.256E-02 0.880E-03
DAV: 19 -0.913643548329E+02 -0.82802E-04 -0.99978E-06 488 0.154E-02 0.387E-03
DAV: 20 -0.913643883932E+02 -0.33560E-04 -0.59127E-06 432 0.147E-02 0.164E-03
DAV: 21 -0.913644036640E+02 -0.15271E-04 -0.29825E-06 445 0.763E-03 0.211E-03
DAV: 22 -0.913644063974E+02 -0.27334E-05 -0.56938E-07 496 0.474E-03
1 F= -.91364406E+02 E0= -.91369232E+02 d E =0.144754E-01