iterations/neb0_image06_iter145_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 0.372113025932E+03 0.37211E+03 -0.14351E+04 640 0.799E+02
DAV: 2 0.375030479080E+01 -0.36836E+03 -0.35635E+03 874 0.193E+02
DAV: 3 -0.959468761211E+02 -0.99697E+02 -0.99367E+02 693 0.116E+02
DAV: 4 -0.100387700439E+03 -0.44408E+01 -0.44284E+01 696 0.276E+01
DAV: 5 -0.100475288842E+03 -0.87588E-01 -0.87547E-01 736 0.347E+00 0.227E+01
DAV: 6 -0.919099005355E+02 0.85654E+01 -0.30493E+01 704 0.303E+01 0.119E+01
DAV: 7 -0.910711458702E+02 0.83875E+00 -0.17166E+00 720 0.630E+00 0.482E+00
DAV: 8 -0.906931092722E+02 0.37804E+00 -0.55411E-01 720 0.415E+00 0.167E+00
DAV: 9 -0.906053258283E+02 0.87783E-01 -0.12984E-01 720 0.163E+00 0.427E-01
DAV: 10 -0.905955880607E+02 0.97378E-02 -0.33557E-02 728 0.915E-01 0.280E-01
DAV: 11 -0.905994044211E+02 -0.38164E-02 -0.85745E-03 602 0.479E-01 0.140E-01
DAV: 12 -0.906019794763E+02 -0.25751E-02 -0.17175E-03 666 0.257E-01 0.834E-02
DAV: 13 -0.906060292490E+02 -0.40498E-02 -0.16914E-03 620 0.196E-01 0.683E-02
DAV: 14 -0.906093701599E+02 -0.33409E-02 -0.12507E-03 744 0.255E-01 0.440E-02
DAV: 15 -0.906110298617E+02 -0.16597E-02 -0.28938E-04 712 0.100E-01 0.414E-02
DAV: 16 -0.906124507417E+02 -0.14209E-02 -0.40584E-04 682 0.122E-01 0.205E-02
DAV: 17 -0.906133008813E+02 -0.85014E-03 -0.13445E-04 728 0.653E-02 0.137E-02
DAV: 18 -0.906135509969E+02 -0.25012E-03 -0.25215E-05 597 0.235E-02 0.803E-03
DAV: 19 -0.906137100617E+02 -0.15906E-03 -0.18452E-05 444 0.196E-02 0.256E-03
DAV: 20 -0.906137438406E+02 -0.33779E-04 -0.37464E-06 512 0.890E-03 0.152E-03
DAV: 21 -0.906137744370E+02 -0.30596E-04 -0.39036E-06 406 0.835E-03 0.115E-03
DAV: 22 -0.906137803370E+02 -0.59000E-05 -0.11829E-06 493 0.550E-03
1 F= -.90613780E+02 E0= -.90617721E+02 d E =0.118225E-01