./iterations/neb0_image06_iter66_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 0.375837226506E+03 0.37584E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.422001133420E+01 -0.37162E+03 -0.35929E+03 869 0.195E+02
DAV: 3 -0.954717811574E+02 -0.99692E+02 -0.99368E+02 648 0.117E+02
DAV: 4 -0.100091838948E+03 -0.46201E+01 -0.46088E+01 704 0.295E+01
DAV: 5 -0.100186654513E+03 -0.94816E-01 -0.94779E-01 728 0.377E+00 0.226E+01
DAV: 6 -0.915715715674E+02 0.86151E+01 -0.30742E+01 677 0.305E+01 0.118E+01
DAV: 7 -0.907269611782E+02 0.84461E+00 -0.16922E+00 720 0.624E+00 0.481E+00
DAV: 8 -0.903419008977E+02 0.38506E+00 -0.53603E-01 696 0.407E+00 0.165E+00
DAV: 9 -0.902517839868E+02 0.90117E-01 -0.13134E-01 720 0.162E+00 0.427E-01
DAV: 10 -0.902419994367E+02 0.97846E-02 -0.45260E-02 728 0.109E+00 0.310E-01
DAV: 11 -0.902465662200E+02 -0.45668E-02 -0.12599E-02 613 0.660E-01 0.160E-01
DAV: 12 -0.902483727934E+02 -0.18066E-02 -0.26684E-03 624 0.267E-01 0.122E-01
DAV: 13 -0.902530014701E+02 -0.46287E-02 -0.30592E-03 641 0.371E-01 0.701E-02
DAV: 14 -0.902547759607E+02 -0.17745E-02 -0.53320E-04 712 0.149E-01 0.542E-02
DAV: 15 -0.902577360109E+02 -0.29601E-02 -0.84207E-04 634 0.165E-01 0.384E-02
DAV: 16 -0.902590913349E+02 -0.13553E-02 -0.22293E-04 677 0.797E-02 0.286E-02
DAV: 17 -0.902597786749E+02 -0.68734E-03 -0.12083E-04 749 0.734E-02 0.137E-02
DAV: 18 -0.902604484384E+02 -0.66976E-03 -0.13815E-04 628 0.649E-02 0.149E-02
DAV: 19 -0.902605535042E+02 -0.10507E-03 -0.11776E-05 504 0.250E-02 0.116E-02
DAV: 20 -0.902606407651E+02 -0.87261E-04 -0.38301E-05 553 0.381E-02 0.646E-03
DAV: 21 -0.902606925827E+02 -0.51818E-04 -0.66117E-06 477 0.152E-02 0.485E-03
DAV: 22 -0.902607147291E+02 -0.22146E-04 -0.46664E-06 417 0.123E-02 0.376E-03
DAV: 23 -0.902607217140E+02 -0.69849E-05 -0.29753E-06 452 0.111E-02
1 F= -.90260722E+02 E0= -.90266691E+02 d E =0.179069E-01