iterations/neb0_image02_iter117_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 0.364873846596E+03 0.36487E+03 -0.14330E+04 632 0.799E+02
DAV: 2 0.446324748268E+01 -0.36041E+03 -0.34586E+03 826 0.195E+02
DAV: 3 -0.956948797622E+02 -0.10016E+03 -0.99827E+02 688 0.116E+02
DAV: 4 -0.100209026226E+03 -0.45141E+01 -0.45032E+01 712 0.279E+01
DAV: 5 -0.100295376008E+03 -0.86350E-01 -0.86313E-01 728 0.347E+00 0.222E+01
DAV: 6 -0.916691023810E+02 0.86263E+01 -0.31003E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908501703449E+02 0.81893E+00 -0.18424E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904657011785E+02 0.38447E+00 -0.55735E-01 704 0.427E+00 0.169E+00
DAV: 9 -0.903760306402E+02 0.89671E-01 -0.13874E-01 704 0.166E+00 0.432E-01
DAV: 10 -0.903698752737E+02 0.61554E-02 -0.48961E-02 704 0.129E+00 0.326E-01
DAV: 11 -0.903735080658E+02 -0.36328E-02 -0.74011E-03 608 0.504E-01 0.145E-01
DAV: 12 -0.903769549413E+02 -0.34469E-02 -0.78039E-03 624 0.485E-01 0.137E-01
DAV: 13 -0.903795181717E+02 -0.25632E-02 -0.17484E-03 912 0.348E-01 0.799E-02
DAV: 14 -0.903826524612E+02 -0.31343E-02 -0.14441E-03 637 0.182E-01 0.616E-02
DAV: 15 -0.903848153303E+02 -0.21629E-02 -0.35415E-04 680 0.105E-01 0.466E-02
DAV: 16 -0.903863407845E+02 -0.15255E-02 -0.79029E-04 650 0.163E-01 0.348E-02
DAV: 17 -0.903871932094E+02 -0.85242E-03 -0.15327E-04 677 0.860E-02 0.237E-02
DAV: 18 -0.903873646083E+02 -0.17140E-03 -0.65186E-05 704 0.408E-02 0.105E-02
DAV: 19 -0.903875420416E+02 -0.17743E-03 -0.30334E-05 522 0.285E-02 0.392E-03
DAV: 20 -0.903875956469E+02 -0.53605E-04 -0.58381E-06 461 0.158E-02 0.496E-03
DAV: 21 -0.903876257954E+02 -0.30148E-04 -0.61177E-06 445 0.149E-02 0.577E-03
DAV: 22 -0.903876518324E+02 -0.26037E-04 -0.52282E-06 455 0.141E-02 0.305E-03
DAV: 23 -0.903876542663E+02 -0.24339E-05 -0.53341E-06 544 0.128E-02
1 F= -.90387654E+02 E0= -.90393293E+02 d E =0.169151E-01