iterations/neb0_image07_iter297_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 0.373262104587E+03 0.37326E+03 -0.14327E+04 632 0.799E+02
DAV: 2 0.384753202323E+01 -0.36941E+03 -0.35833E+03 866 0.194E+02
DAV: 3 -0.965123205194E+02 -0.10036E+03 -0.10003E+03 656 0.117E+02
DAV: 4 -0.101250552632E+03 -0.47382E+01 -0.47260E+01 712 0.293E+01
DAV: 5 -0.101343578918E+03 -0.93026E-01 -0.92986E-01 728 0.370E+00 0.229E+01
DAV: 6 -0.926058301359E+02 0.87377E+01 -0.31064E+01 717 0.302E+01 0.120E+01
DAV: 7 -0.917199669426E+02 0.88586E+00 -0.17317E+00 720 0.616E+00 0.478E+00
DAV: 8 -0.913391267816E+02 0.38084E+00 -0.52566E-01 736 0.388E+00 0.165E+00
DAV: 9 -0.912513242799E+02 0.87803E-01 -0.13364E-01 736 0.154E+00 0.427E-01
DAV: 10 -0.912417653662E+02 0.95589E-02 -0.47645E-02 781 0.113E+00 0.306E-01
DAV: 11 -0.912467523317E+02 -0.49870E-02 -0.15103E-02 610 0.654E-01 0.161E-01
DAV: 12 -0.912492118869E+02 -0.24596E-02 -0.26498E-03 639 0.238E-01 0.120E-01
DAV: 13 -0.912535218475E+02 -0.43100E-02 -0.37248E-03 639 0.311E-01 0.654E-02
DAV: 14 -0.912559985561E+02 -0.24767E-02 -0.67201E-04 696 0.160E-01 0.271E-02
DAV: 15 -0.912586473559E+02 -0.26488E-02 -0.37961E-04 647 0.826E-02 0.223E-02
DAV: 16 -0.912597262021E+02 -0.10788E-02 -0.10456E-04 744 0.642E-02 0.115E-02
DAV: 17 -0.912602670604E+02 -0.54086E-03 -0.10148E-04 637 0.469E-02 0.134E-02
DAV: 18 -0.912603866919E+02 -0.11963E-03 -0.29132E-05 640 0.416E-02 0.317E-03
DAV: 19 -0.912604678207E+02 -0.81129E-04 -0.13931E-05 412 0.171E-02 0.375E-03
DAV: 20 -0.912604928425E+02 -0.25022E-04 -0.32221E-06 480 0.686E-03 0.290E-03
DAV: 21 -0.912605016794E+02 -0.88369E-05 -0.24279E-06 430 0.957E-03
1 F= -.91260502E+02 E0= -.91265268E+02 d E =0.143001E-01