./neb0_image00_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 0.144660013177E+04 0.14466E+04 -0.44196E+04 330 0.697E+02
DAV: 2 0.224032270708E+03 -0.12226E+04 -0.11476E+04 435 0.163E+02
DAV: 3 -0.362900995611E+03 -0.58693E+03 -0.58356E+03 345 0.114E+02
DAV: 4 -0.433536320753E+03 -0.70635E+02 -0.70361E+02 318 0.508E+01
DAV: 5 -0.435117516528E+03 -0.15812E+01 -0.15786E+01 327 0.781E+00 0.426E+01
DAV: 6 -0.389118057068E+03 0.45999E+02 -0.14844E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385633747969E+03 0.34843E+01 -0.13455E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384152972252E+03 0.14808E+01 -0.21399E+00 327 0.382E+00 0.432E+00
DAV: 9 -0.383607543780E+03 0.54543E+00 -0.17337E+00 336 0.241E+00 0.135E+00
DAV: 10 -0.383533392951E+03 0.74151E-01 -0.22750E-01 318 0.111E+00 0.995E-01
DAV: 11 -0.383514275166E+03 0.19118E-01 -0.25126E-01 345 0.634E-01 0.100E+00
DAV: 12 -0.383494132918E+03 0.20142E-01 -0.29545E-01 327 0.703E-01 0.963E-01
DAV: 13 -0.383474849707E+03 0.19283E-01 -0.18345E-01 372 0.549E-01 0.697E-01
DAV: 14 -0.383462865355E+03 0.11984E-01 -0.19971E-02 336 0.381E-01 0.419E-01
DAV: 15 -0.383459558222E+03 0.33071E-02 -0.21459E-02 318 0.408E-01 0.289E-01
DAV: 16 -0.383464063960E+03 -0.45057E-02 -0.86410E-03 327 0.245E-01 0.179E-01
DAV: 17 -0.383471820174E+03 -0.77562E-02 -0.25944E-03 282 0.156E-01 0.143E-01
DAV: 18 -0.383480765094E+03 -0.89449E-02 -0.26795E-03 354 0.169E-01 0.116E-01
DAV: 19 -0.383486020358E+03 -0.52553E-02 -0.21811E-03 354 0.137E-01 0.914E-02
DAV: 20 -0.383493806673E+03 -0.77863E-02 -0.33841E-03 336 0.123E-01 0.184E-01
DAV: 21 -0.383493482799E+03 0.32387E-03 -0.28016E-03 327 0.853E-02 0.802E-02
DAV: 22 -0.383496479595E+03 -0.29968E-02 -0.55272E-04 291 0.524E-02 0.986E-02
DAV: 23 -0.383501909994E+03 -0.54304E-02 -0.12771E-03 309 0.638E-02 0.626E-02
DAV: 24 -0.383506446731E+03 -0.45367E-02 -0.37973E-04 309 0.408E-02 0.493E-02
DAV: 25 -0.383508587842E+03 -0.21411E-02 -0.13636E-04 336 0.260E-02 0.228E-02
DAV: 26 -0.383509548942E+03 -0.96110E-03 -0.61039E-05 336 0.189E-02 0.216E-02
DAV: 27 -0.383510401741E+03 -0.85280E-03 -0.31155E-05 264 0.139E-02 0.146E-02
DAV: 28 -0.383511280239E+03 -0.87850E-03 -0.46618E-05 282 0.123E-02 0.201E-02
DAV: 29 -0.383511521007E+03 -0.24077E-03 -0.12101E-05 246 0.813E-03 0.963E-03
DAV: 30 -0.383511757899E+03 -0.23689E-03 -0.36344E-05 255 0.117E-02 0.811E-03
DAV: 31 -0.383511840856E+03 -0.82956E-04 -0.74268E-06 228 0.636E-03 0.362E-03
DAV: 32 -0.383511886423E+03 -0.45568E-04 -0.23875E-06 201 0.318E-03 0.361E-03
DAV: 33 -0.383511918101E+03 -0.31678E-04 -0.99178E-07 228 0.211E-03 0.309E-03
DAV: 34 -0.383511950861E+03 -0.32760E-04 -0.11268E-06 210 0.213E-03 0.293E-03
DAV: 35 -0.383511968618E+03 -0.17757E-04 -0.12276E-06 210 0.203E-03 0.119E-03
DAV: 36 -0.383511971605E+03 -0.29872E-05 -0.45428E-07 237 0.124E-03
1 F= -.38351197E+03 E0= -.38352864E+03 d E =0.499919E-01