iterations/neb0_image06_iter183_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 0.371095709417E+03 0.37110E+03 -0.14349E+04 640 0.799E+02
DAV: 2 0.383462697988E+01 -0.36726E+03 -0.35529E+03 869 0.193E+02
DAV: 3 -0.960346411720E+02 -0.99869E+02 -0.99525E+02 693 0.116E+02
DAV: 4 -0.100510843179E+03 -0.44762E+01 -0.44646E+01 720 0.277E+01
DAV: 5 -0.100598963652E+03 -0.88120E-01 -0.88080E-01 720 0.348E+00 0.226E+01
DAV: 6 -0.920534001252E+02 0.85456E+01 -0.30538E+01 693 0.301E+01 0.118E+01
DAV: 7 -0.912195116696E+02 0.83389E+00 -0.17172E+00 728 0.624E+00 0.481E+00
DAV: 8 -0.908418826332E+02 0.37763E+00 -0.55465E-01 704 0.413E+00 0.164E+00
DAV: 9 -0.907546321168E+02 0.87251E-01 -0.12723E-01 712 0.158E+00 0.422E-01
DAV: 10 -0.907445953932E+02 0.10037E-01 -0.36340E-02 736 0.949E-01 0.283E-01
DAV: 11 -0.907485686252E+02 -0.39732E-02 -0.88237E-03 596 0.476E-01 0.137E-01
DAV: 12 -0.907515968368E+02 -0.30282E-02 -0.22213E-03 626 0.263E-01 0.820E-02
DAV: 13 -0.907553383209E+02 -0.37415E-02 -0.13000E-03 636 0.164E-01 0.655E-02
DAV: 14 -0.907589526697E+02 -0.36143E-02 -0.12960E-03 720 0.239E-01 0.447E-02
DAV: 15 -0.907604232689E+02 -0.14706E-02 -0.24135E-04 744 0.963E-02 0.410E-02
DAV: 16 -0.907618605461E+02 -0.14373E-02 -0.39889E-04 682 0.118E-01 0.197E-02
DAV: 17 -0.907626225173E+02 -0.76197E-03 -0.12169E-04 704 0.625E-02 0.130E-02
DAV: 18 -0.907628424923E+02 -0.21998E-03 -0.23830E-05 552 0.240E-02 0.759E-03
DAV: 19 -0.907629998348E+02 -0.15734E-03 -0.21321E-05 476 0.182E-02 0.295E-03
DAV: 20 -0.907630201172E+02 -0.20282E-04 -0.18909E-06 528 0.827E-03 0.152E-03
DAV: 21 -0.907630528498E+02 -0.32733E-04 -0.51677E-06 389 0.960E-03 0.196E-03
DAV: 22 -0.907630540177E+02 -0.11679E-05 -0.83015E-07 528 0.725E-03
1 F= -.90763054E+02 E0= -.90767462E+02 d E =0.132239E-01