./neb0_image08_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 0.145058128560E+04 0.14506E+04 -0.44244E+04 330 0.697E+02
DAV: 2 0.228840845277E+03 -0.12217E+04 -0.11462E+04 426 0.163E+02
DAV: 3 -0.360502458817E+03 -0.58934E+03 -0.58575E+03 345 0.114E+02
DAV: 4 -0.432690346628E+03 -0.72188E+02 -0.71902E+02 318 0.512E+01
DAV: 5 -0.434339495821E+03 -0.16491E+01 -0.16464E+01 318 0.797E+00 0.426E+01
DAV: 6 -0.388640767300E+03 0.45699E+02 -0.14759E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385210722143E+03 0.34300E+01 -0.13003E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.383747854807E+03 0.14629E+01 -0.18501E+00 336 0.380E+00 0.430E+00
DAV: 9 -0.383225812132E+03 0.52204E+00 -0.15546E+00 336 0.226E+00 0.112E+00
DAV: 10 -0.383151315488E+03 0.74497E-01 -0.14212E-01 336 0.100E+00 0.896E-01
DAV: 11 -0.383108506699E+03 0.42809E-01 -0.78944E-02 345 0.712E-01 0.608E-01
DAV: 12 -0.383088927793E+03 0.19579E-01 -0.27376E-02 345 0.494E-01 0.434E-01
DAV: 13 -0.383078478384E+03 0.10449E-01 -0.53203E-02 336 0.426E-01 0.650E-01
DAV: 14 -0.383076818295E+03 0.16601E-02 -0.10762E-01 363 0.403E-01 0.501E-01
DAV: 15 -0.383070788838E+03 0.60295E-02 -0.86788E-03 291 0.327E-01 0.156E-01
DAV: 16 -0.383078848557E+03 -0.80597E-02 -0.93087E-03 318 0.261E-01 0.210E-01
DAV: 17 -0.383087759375E+03 -0.89108E-02 -0.29901E-03 291 0.178E-01 0.121E-01
DAV: 18 -0.383097722001E+03 -0.99626E-02 -0.21679E-03 318 0.154E-01 0.863E-02
DAV: 19 -0.383103226945E+03 -0.55049E-02 -0.92022E-04 327 0.953E-02 0.692E-02
DAV: 20 -0.383108177659E+03 -0.49507E-02 -0.27153E-04 318 0.450E-02 0.601E-02
DAV: 21 -0.383114656244E+03 -0.64786E-02 -0.32933E-04 291 0.366E-02 0.251E-02
DAV: 22 -0.383120233366E+03 -0.55771E-02 -0.47714E-04 309 0.394E-02 0.388E-02
DAV: 23 -0.383121503268E+03 -0.12699E-02 -0.10271E-04 327 0.200E-02 0.115E-02
DAV: 24 -0.383122896667E+03 -0.13934E-02 -0.74120E-05 282 0.165E-02 0.195E-02
DAV: 25 -0.383123711144E+03 -0.81448E-03 -0.41068E-05 273 0.117E-02 0.609E-03
DAV: 26 -0.383124031495E+03 -0.32035E-03 -0.10580E-05 228 0.794E-03 0.383E-03
DAV: 27 -0.383124234340E+03 -0.20284E-03 -0.67841E-06 201 0.554E-03 0.222E-03
DAV: 28 -0.383124349382E+03 -0.11504E-03 -0.40454E-06 210 0.401E-03 0.144E-03
DAV: 29 -0.383124401587E+03 -0.52205E-04 -0.23180E-06 219 0.285E-03 0.129E-03
DAV: 30 -0.383124426780E+03 -0.25192E-04 -0.12085E-06 210 0.214E-03 0.829E-04
DAV: 31 -0.383124442996E+03 -0.16216E-04 -0.81276E-07 210 0.168E-03 0.593E-04
DAV: 32 -0.383124447090E+03 -0.40940E-05 -0.29565E-07 228 0.115E-03
1 F= -.38312445E+03 E0= -.38314159E+03 d E =0.514434E-01