./iterations/neb0_image09_iter276_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 0.374114339898E+03 0.37411E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.329896510519E+01 -0.37082E+03 -0.35816E+03 866 0.196E+02
DAV: 3 -0.968716675214E+02 -0.10017E+03 -0.99847E+02 672 0.117E+02
DAV: 4 -0.101306513916E+03 -0.44348E+01 -0.44243E+01 720 0.283E+01
DAV: 5 -0.101392446549E+03 -0.85933E-01 -0.85896E-01 728 0.358E+00 0.227E+01
DAV: 6 -0.926908474869E+02 0.87016E+01 -0.31023E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918120367731E+02 0.87881E+00 -0.17192E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914341199056E+02 0.37792E+00 -0.54758E-01 704 0.397E+00 0.162E+00
DAV: 9 -0.913535547636E+02 0.80565E-01 -0.13164E-01 720 0.154E+00 0.423E-01
DAV: 10 -0.913452711799E+02 0.82836E-02 -0.45962E-02 736 0.110E+00 0.306E-01
DAV: 11 -0.913499438011E+02 -0.46726E-02 -0.13791E-02 608 0.610E-01 0.145E-01
DAV: 12 -0.913529934646E+02 -0.30497E-02 -0.29815E-03 623 0.232E-01 0.120E-01
DAV: 13 -0.913566978209E+02 -0.37044E-02 -0.25100E-03 653 0.272E-01 0.502E-02
DAV: 14 -0.913598798114E+02 -0.31820E-02 -0.58829E-04 672 0.129E-01 0.272E-02
DAV: 15 -0.913614437721E+02 -0.15640E-02 -0.12278E-04 656 0.547E-02 0.226E-02
DAV: 16 -0.913626478265E+02 -0.12041E-02 -0.23989E-04 653 0.747E-02 0.178E-02
DAV: 17 -0.913627989448E+02 -0.15112E-03 -0.18009E-05 512 0.355E-02 0.132E-02
DAV: 18 -0.913630412512E+02 -0.24231E-03 -0.85494E-05 618 0.499E-02 0.121E-02
DAV: 19 -0.913630890025E+02 -0.47751E-04 -0.11898E-05 504 0.298E-02 0.572E-03
DAV: 20 -0.913631196171E+02 -0.30615E-04 -0.15450E-05 424 0.220E-02 0.253E-03
DAV: 21 -0.913631423330E+02 -0.22716E-04 -0.51712E-06 448 0.110E-02 0.396E-03
DAV: 22 -0.913631470242E+02 -0.46912E-05 -0.96195E-07 490 0.684E-03
1 F= -.91363147E+02 E0= -.91367822E+02 d E =0.140250E-01