./neb0_image07_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 0.145047651449E+04 0.14505E+04 -0.44233E+04 330 0.697E+02
DAV: 2 0.227608976676E+03 -0.12229E+04 -0.11466E+04 426 0.163E+02
DAV: 3 -0.364868381034E+03 -0.59248E+03 -0.58894E+03 354 0.114E+02
DAV: 4 -0.433040899837E+03 -0.68173E+02 -0.67926E+02 309 0.491E+01
DAV: 5 -0.434540727683E+03 -0.14998E+01 -0.14970E+01 327 0.759E+00 0.426E+01
DAV: 6 -0.388790132140E+03 0.45751E+02 -0.14849E+02 309 0.287E+01 0.208E+01
DAV: 7 -0.385360840992E+03 0.34293E+01 -0.12973E+01 345 0.775E+00 0.104E+01
DAV: 8 -0.383891573077E+03 0.14693E+01 -0.18671E+00 336 0.379E+00 0.432E+00
DAV: 9 -0.383376715885E+03 0.51486E+00 -0.16616E+00 336 0.233E+00 0.118E+00
DAV: 10 -0.383300733554E+03 0.75982E-01 -0.19614E-01 327 0.106E+00 0.945E-01
DAV: 11 -0.383276075393E+03 0.24658E-01 -0.11592E-01 318 0.596E-01 0.776E-01
DAV: 12 -0.383242045554E+03 0.34030E-01 -0.89903E-02 372 0.619E-01 0.683E-01
DAV: 13 -0.383228795224E+03 0.13250E-01 -0.70635E-02 345 0.511E-01 0.482E-01
DAV: 14 -0.383222011891E+03 0.67833E-02 -0.19071E-02 327 0.431E-01 0.597E-01
DAV: 15 -0.383218562172E+03 0.34497E-02 -0.80533E-03 318 0.270E-01 0.559E-01
DAV: 16 -0.383219441198E+03 -0.87903E-03 -0.29481E-02 318 0.262E-01 0.201E-01
DAV: 17 -0.383229921639E+03 -0.10480E-01 -0.69178E-03 291 0.245E-01 0.172E-01
DAV: 18 -0.383235735726E+03 -0.58141E-02 -0.24180E-03 336 0.134E-01 0.846E-02
DAV: 19 -0.383245733769E+03 -0.99980E-02 -0.16128E-03 291 0.109E-01 0.100E-01
DAV: 20 -0.383253630311E+03 -0.78965E-02 -0.10959E-03 318 0.989E-02 0.566E-02
DAV: 21 -0.383258958610E+03 -0.53283E-02 -0.10632E-03 318 0.728E-02 0.764E-02
DAV: 22 -0.383263055206E+03 -0.40966E-02 -0.26828E-04 318 0.380E-02 0.449E-02
DAV: 23 -0.383266800215E+03 -0.37450E-02 -0.36344E-04 309 0.333E-02 0.224E-02
DAV: 24 -0.383268021967E+03 -0.12218E-02 -0.70731E-05 309 0.183E-02 0.139E-02
DAV: 25 -0.383268789609E+03 -0.76764E-03 -0.29219E-05 246 0.108E-02 0.434E-03
DAV: 26 -0.383269347752E+03 -0.55814E-03 -0.21327E-05 264 0.813E-03 0.344E-03
DAV: 27 -0.383269623028E+03 -0.27528E-03 -0.63755E-06 210 0.480E-03 0.252E-03
DAV: 28 -0.383269750681E+03 -0.12765E-03 -0.45334E-06 219 0.358E-03 0.166E-03
DAV: 29 -0.383269818760E+03 -0.68079E-04 -0.22169E-06 210 0.304E-03 0.171E-03
DAV: 30 -0.383269846605E+03 -0.27845E-04 -0.14932E-06 219 0.235E-03 0.109E-03
DAV: 31 -0.383269855424E+03 -0.88191E-05 -0.64723E-07 237 0.175E-03
1 F= -.38326986E+03 E0= -.38328682E+03 d E =0.508917E-01