./iterations/neb0_image01_iter198_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 0.365889602705E+03 0.36589E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.324484130397E+01 -0.36264E+03 -0.34965E+03 839 0.196E+02
DAV: 3 -0.955502402464E+02 -0.98795E+02 -0.98448E+02 661 0.116E+02
DAV: 4 -0.100236098687E+03 -0.46859E+01 -0.46748E+01 696 0.291E+01
DAV: 5 -0.100329706654E+03 -0.93608E-01 -0.93559E-01 728 0.368E+00 0.223E+01
DAV: 6 -0.916965117087E+02 0.86332E+01 -0.30900E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908853321126E+02 0.81118E+00 -0.18252E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905088975737E+02 0.37643E+00 -0.55628E-01 704 0.430E+00 0.167E+00
DAV: 9 -0.904270220039E+02 0.81876E-01 -0.13270E-01 720 0.166E+00 0.423E-01
DAV: 10 -0.904225047704E+02 0.45172E-02 -0.46793E-02 720 0.124E+00 0.321E-01
DAV: 11 -0.904265319604E+02 -0.40272E-02 -0.75033E-03 608 0.546E-01 0.124E-01
DAV: 12 -0.904300006309E+02 -0.34687E-02 -0.66299E-03 637 0.457E-01 0.132E-01
DAV: 13 -0.904324141487E+02 -0.24135E-02 -0.16116E-03 861 0.310E-01 0.744E-02
DAV: 14 -0.904355412303E+02 -0.31271E-02 -0.14292E-03 634 0.189E-01 0.660E-02
DAV: 15 -0.904372315976E+02 -0.16904E-02 -0.31672E-04 680 0.111E-01 0.532E-02
DAV: 16 -0.904386051659E+02 -0.13736E-02 -0.99862E-04 669 0.194E-01 0.364E-02
DAV: 17 -0.904394155475E+02 -0.81038E-03 -0.13450E-04 661 0.782E-02 0.323E-02
DAV: 18 -0.904397347812E+02 -0.31923E-03 -0.92088E-05 672 0.491E-02 0.157E-02
DAV: 19 -0.904399012576E+02 -0.16648E-03 -0.73034E-05 639 0.461E-02 0.890E-03
DAV: 20 -0.904399316420E+02 -0.30384E-04 -0.56625E-06 512 0.170E-02 0.928E-03
DAV: 21 -0.904399701380E+02 -0.38496E-04 -0.72570E-06 395 0.150E-02 0.627E-03
DAV: 22 -0.904399784037E+02 -0.82657E-05 -0.53648E-06 480 0.160E-02
1 F= -.90439978E+02 E0= -.90445466E+02 d E =0.164631E-01