iterations/neb0_image04_iter20_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 0.362179679512E+03 0.36218E+03 -0.14266E+04 632 0.799E+02
DAV: 2 0.502312527226E+01 -0.35716E+03 -0.34479E+03 842 0.193E+02
DAV: 3 -0.935988958441E+02 -0.98622E+02 -0.98196E+02 680 0.115E+02
DAV: 4 -0.982008083157E+02 -0.46019E+01 -0.45879E+01 704 0.282E+01
DAV: 5 -0.983001985940E+02 -0.99390E-01 -0.99339E-01 728 0.364E+00 0.215E+01
DAV: 6 -0.899219803266E+02 0.83782E+01 -0.30772E+01 712 0.297E+01 0.111E+01
DAV: 7 -0.891672989135E+02 0.75468E+00 -0.16811E+00 728 0.649E+00 0.473E+00
DAV: 8 -0.887923159413E+02 0.37498E+00 -0.59349E-01 728 0.446E+00 0.171E+00
DAV: 9 -0.887063902733E+02 0.85926E-01 -0.13454E-01 728 0.169E+00 0.459E-01
DAV: 10 -0.886984903800E+02 0.78999E-02 -0.35326E-02 712 0.896E-01 0.311E-01
DAV: 11 -0.887000281287E+02 -0.15377E-02 -0.35871E-03 632 0.423E-01 0.159E-01
DAV: 12 -0.887042860003E+02 -0.42579E-02 -0.81467E-03 610 0.466E-01 0.161E-01
DAV: 13 -0.887059580875E+02 -0.16721E-02 -0.27015E-03 752 0.363E-01 0.704E-02
DAV: 14 -0.887096007388E+02 -0.36427E-02 -0.16698E-03 631 0.230E-01 0.683E-02
DAV: 15 -0.887112508767E+02 -0.16501E-02 -0.20807E-04 744 0.979E-02 0.520E-02
DAV: 16 -0.887137794746E+02 -0.25286E-02 -0.11359E-03 735 0.213E-01 0.450E-02
DAV: 17 -0.887143031412E+02 -0.52367E-03 -0.17115E-04 784 0.998E-02 0.274E-02
DAV: 18 -0.887147586316E+02 -0.45549E-03 -0.14411E-04 693 0.636E-02 0.116E-02
DAV: 19 -0.887152617667E+02 -0.50314E-03 -0.68952E-05 677 0.412E-02 0.123E-02
DAV: 20 -0.887153951045E+02 -0.13334E-03 -0.87517E-06 493 0.260E-02 0.654E-03
DAV: 21 -0.887154920628E+02 -0.96958E-04 -0.52350E-05 642 0.396E-02 0.102E-02
DAV: 22 -0.887155043101E+02 -0.12247E-04 -0.43649E-06 533 0.193E-02 0.610E-03
DAV: 23 -0.887155259815E+02 -0.21671E-04 -0.97278E-06 412 0.168E-02 0.130E-03
DAV: 24 -0.887155295062E+02 -0.35248E-05 -0.23611E-06 512 0.859E-03
1 F= -.88715530E+02 E0= -.88726229E+02 d E =0.320992E-01