iterations/neb0_image07_iter62_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 0.378312617215E+03 0.37831E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.441620227567E+01 -0.37390E+03 -0.36056E+03 869 0.196E+02
DAV: 3 -0.963734273274E+02 -0.10079E+03 -0.10046E+03 672 0.117E+02
DAV: 4 -0.100854717321E+03 -0.44813E+01 -0.44709E+01 704 0.285E+01
DAV: 5 -0.100942617470E+03 -0.87900E-01 -0.87863E-01 720 0.358E+00 0.228E+01
DAV: 6 -0.923121725984E+02 0.86304E+01 -0.30645E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.914317412253E+02 0.88043E+00 -0.16690E+00 736 0.615E+00 0.482E+00
DAV: 8 -0.910472013060E+02 0.38454E+00 -0.56281E-01 696 0.410E+00 0.163E+00
DAV: 9 -0.909622213722E+02 0.84980E-01 -0.13296E-01 712 0.157E+00 0.428E-01
DAV: 10 -0.909522244003E+02 0.99970E-02 -0.48660E-02 728 0.114E+00 0.314E-01
DAV: 11 -0.909565432086E+02 -0.43188E-02 -0.12386E-02 613 0.587E-01 0.139E-01
DAV: 12 -0.909596702417E+02 -0.31270E-02 -0.36362E-03 608 0.286E-01 0.137E-01
DAV: 13 -0.909633337971E+02 -0.36636E-02 -0.18518E-03 757 0.273E-01 0.534E-02
DAV: 14 -0.909659893120E+02 -0.26555E-02 -0.65197E-04 664 0.117E-01 0.493E-02
DAV: 15 -0.909688263337E+02 -0.28370E-02 -0.30878E-04 634 0.819E-02 0.367E-02
DAV: 16 -0.909699239382E+02 -0.10976E-02 -0.33599E-04 677 0.931E-02 0.214E-02
DAV: 17 -0.909705585333E+02 -0.63460E-03 -0.86590E-05 653 0.544E-02 0.133E-02
DAV: 18 -0.909707343796E+02 -0.17585E-03 -0.30430E-05 608 0.264E-02 0.902E-03
DAV: 19 -0.909708100956E+02 -0.75716E-04 -0.16299E-05 442 0.299E-02 0.354E-03
DAV: 20 -0.909708288360E+02 -0.18740E-04 -0.79135E-06 520 0.154E-02 0.476E-03
DAV: 21 -0.909708454955E+02 -0.16659E-04 -0.25560E-06 423 0.113E-02 0.262E-03
DAV: 22 -0.909708596301E+02 -0.14135E-04 -0.32257E-06 426 0.981E-03 0.153E-03
DAV: 23 -0.909708629045E+02 -0.32744E-05 -0.61839E-07 485 0.456E-03
1 F= -.90970863E+02 E0= -.90975915E+02 d E =0.151566E-01