./iterations/neb0_image09_iter109_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 0.374873596854E+03 0.37487E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.250087639215E+01 -0.37237E+03 -0.36003E+03 877 0.196E+02
DAV: 3 -0.967213651519E+02 -0.99222E+02 -0.98887E+02 656 0.117E+02
DAV: 4 -0.101255802532E+03 -0.45344E+01 -0.45251E+01 696 0.289E+01
DAV: 5 -0.101345328282E+03 -0.89526E-01 -0.89486E-01 736 0.368E+00 0.227E+01
DAV: 6 -0.926749908878E+02 0.86703E+01 -0.30867E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918037023964E+02 0.87129E+00 -0.17173E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914266354987E+02 0.37707E+00 -0.54244E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913442103911E+02 0.82425E-01 -0.13167E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913354055162E+02 0.88049E-02 -0.46290E-02 784 0.113E+00 0.306E-01
DAV: 11 -0.913397911253E+02 -0.43856E-02 -0.13132E-02 616 0.599E-01 0.142E-01
DAV: 12 -0.913427569892E+02 -0.29659E-02 -0.29942E-03 623 0.244E-01 0.114E-01
DAV: 13 -0.913466079987E+02 -0.38510E-02 -0.15478E-03 720 0.215E-01 0.435E-02
DAV: 14 -0.913499432668E+02 -0.33353E-02 -0.57164E-04 661 0.128E-01 0.352E-02
DAV: 15 -0.913514438922E+02 -0.15006E-02 -0.13941E-04 712 0.727E-02 0.336E-02
DAV: 16 -0.913527811748E+02 -0.13373E-02 -0.33965E-04 647 0.906E-02 0.193E-02
DAV: 17 -0.913530837736E+02 -0.30260E-03 -0.60054E-05 680 0.564E-02 0.114E-02
DAV: 18 -0.913533328352E+02 -0.24906E-03 -0.42226E-05 556 0.277E-02 0.109E-02
DAV: 19 -0.913533916423E+02 -0.58807E-04 -0.81059E-06 488 0.183E-02 0.501E-03
DAV: 20 -0.913534243327E+02 -0.32690E-04 -0.14188E-05 432 0.240E-02 0.393E-03
DAV: 21 -0.913534383852E+02 -0.14053E-04 -0.28458E-06 472 0.100E-02 0.331E-03
DAV: 22 -0.913534447893E+02 -0.64041E-05 -0.20107E-06 418 0.883E-03
1 F= -.91353445E+02 E0= -.91358173E+02 d E =0.141844E-01