./neb0_image02_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.144807967594E+04 0.14481E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.224455568767E+03 -0.12236E+04 -0.11470E+04 435 0.163E+02
DAV: 3 -0.362873298435E+03 -0.58733E+03 -0.58420E+03 345 0.114E+02
DAV: 4 -0.433471573976E+03 -0.70598E+02 -0.70361E+02 309 0.508E+01
DAV: 5 -0.435055383510E+03 -0.15838E+01 -0.15812E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389086894269E+03 0.45968E+02 -0.14804E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385621368040E+03 0.34655E+01 -0.13501E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384141324975E+03 0.14800E+01 -0.20649E+00 327 0.383E+00 0.431E+00
DAV: 9 -0.383586088794E+03 0.55524E+00 -0.96813E-01 336 0.226E+00 0.116E+00
DAV: 10 -0.383523708406E+03 0.62380E-01 -0.18589E-01 327 0.101E+00 0.104E+00
DAV: 11 -0.383504694071E+03 0.19014E-01 -0.65281E-02 318 0.640E-01 0.913E-01
DAV: 12 -0.383480343705E+03 0.24350E-01 -0.93667E-02 327 0.459E-01 0.827E-01
DAV: 13 -0.383472644001E+03 0.76997E-02 -0.91274E-02 390 0.486E-01 0.712E-01
DAV: 14 -0.383454044245E+03 0.18600E-01 -0.74665E-02 336 0.471E-01 0.372E-01
DAV: 15 -0.383453743180E+03 0.30106E-03 -0.19267E-02 318 0.315E-01 0.169E-01
DAV: 16 -0.383460615319E+03 -0.68721E-02 -0.50340E-03 300 0.209E-01 0.159E-01
DAV: 17 -0.383473060605E+03 -0.12445E-01 -0.45334E-03 309 0.191E-01 0.238E-01
DAV: 18 -0.383479394951E+03 -0.63343E-02 -0.20018E-03 327 0.141E-01 0.128E-01
DAV: 19 -0.383485992774E+03 -0.65978E-02 -0.11117E-03 318 0.916E-02 0.565E-02
DAV: 20 -0.383493944929E+03 -0.79522E-02 -0.49338E-04 318 0.574E-02 0.484E-02
DAV: 21 -0.383499392831E+03 -0.54479E-02 -0.27075E-04 327 0.401E-02 0.381E-02
DAV: 22 -0.383503765351E+03 -0.43725E-02 -0.25223E-04 300 0.354E-02 0.182E-02
DAV: 23 -0.383505261802E+03 -0.14965E-02 -0.72410E-05 336 0.200E-02 0.151E-02
DAV: 24 -0.383507446082E+03 -0.21843E-02 -0.10103E-04 291 0.184E-02 0.190E-02
DAV: 25 -0.383508332161E+03 -0.88608E-03 -0.42038E-05 300 0.136E-02 0.612E-03
DAV: 26 -0.383508792264E+03 -0.46010E-03 -0.16695E-05 237 0.912E-03 0.795E-03
DAV: 27 -0.383509024358E+03 -0.23209E-03 -0.80696E-06 228 0.609E-03 0.241E-03
DAV: 28 -0.383509119872E+03 -0.95514E-04 -0.32747E-06 228 0.374E-03 0.199E-03
DAV: 29 -0.383509207768E+03 -0.87896E-04 -0.29158E-06 192 0.361E-03 0.277E-03
DAV: 30 -0.383509244708E+03 -0.36940E-04 -0.16657E-06 219 0.243E-03 0.198E-03
DAV: 31 -0.383509267074E+03 -0.22366E-04 -0.10567E-06 219 0.261E-03 0.111E-03
DAV: 32 -0.383509277905E+03 -0.10831E-04 -0.56830E-07 201 0.154E-03 0.695E-04
DAV: 33 -0.383509280965E+03 -0.30595E-05 -0.21065E-07 228 0.102E-03
1 F= -.38350928E+03 E0= -.38352581E+03 d E =0.495906E-01