./iterations/neb0_image09_iter157_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 0.374133522810E+03 0.37413E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.330202910197E+01 -0.37083E+03 -0.35803E+03 869 0.196E+02
DAV: 3 -0.967967107374E+02 -0.10010E+03 -0.99769E+02 669 0.117E+02
DAV: 4 -0.101258159730E+03 -0.44614E+01 -0.44511E+01 720 0.284E+01
DAV: 5 -0.101344978757E+03 -0.86819E-01 -0.86779E-01 720 0.359E+00 0.227E+01
DAV: 6 -0.926734872560E+02 0.86715E+01 -0.30998E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.918063963400E+02 0.86709E+00 -0.17282E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914300657029E+02 0.37633E+00 -0.54304E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913482205327E+02 0.81845E-01 -0.13123E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913398098161E+02 0.84107E-02 -0.43860E-02 768 0.110E+00 0.298E-01
DAV: 11 -0.913441661458E+02 -0.43563E-02 -0.11697E-02 616 0.566E-01 0.133E-01
DAV: 12 -0.913472932693E+02 -0.31271E-02 -0.27726E-03 634 0.246E-01 0.108E-01
DAV: 13 -0.913508631593E+02 -0.35699E-02 -0.13026E-03 672 0.195E-01 0.447E-02
DAV: 14 -0.913542896168E+02 -0.34265E-02 -0.74214E-04 664 0.161E-01 0.350E-02
DAV: 15 -0.913555626899E+02 -0.12731E-02 -0.14101E-04 688 0.807E-02 0.349E-02
DAV: 16 -0.913569661691E+02 -0.14035E-02 -0.36582E-04 634 0.102E-01 0.199E-02
DAV: 17 -0.913573521566E+02 -0.38599E-03 -0.64006E-05 688 0.602E-02 0.144E-02
DAV: 18 -0.913575810853E+02 -0.22893E-03 -0.43339E-05 632 0.328E-02 0.108E-02
DAV: 19 -0.913577013395E+02 -0.12025E-03 -0.14679E-05 469 0.188E-02 0.499E-03
DAV: 20 -0.913577464273E+02 -0.45088E-04 -0.74544E-06 456 0.161E-02 0.214E-03
DAV: 21 -0.913577698008E+02 -0.23374E-04 -0.54440E-06 423 0.112E-02 0.226E-03
DAV: 22 -0.913577733950E+02 -0.35941E-05 -0.84289E-07 504 0.465E-03
1 F= -.91357773E+02 E0= -.91362772E+02 d E =0.149964E-01