iterations/neb0_image06_iter52_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144842964849E+04 0.14484E+04 -0.44234E+04 330 0.697E+02
DAV: 2 0.230399067746E+03 -0.12180E+04 -0.11416E+04 417 0.163E+02
DAV: 3 -0.367873992454E+03 -0.59827E+03 -0.59498E+03 363 0.114E+02
DAV: 4 -0.433127263625E+03 -0.65253E+02 -0.65023E+02 300 0.473E+01
DAV: 5 -0.434557659378E+03 -0.14304E+01 -0.14274E+01 336 0.733E+00 0.427E+01
DAV: 6 -0.388627185836E+03 0.45930E+02 -0.15018E+02 309 0.287E+01 0.208E+01
DAV: 7 -0.385168680182E+03 0.34585E+01 -0.12701E+01 345 0.774E+00 0.104E+01
DAV: 8 -0.383730282441E+03 0.14384E+01 -0.27405E+00 327 0.388E+00 0.431E+00
DAV: 9 -0.383155384561E+03 0.57490E+00 -0.63594E-01 336 0.203E+00 0.101E+00
DAV: 10 -0.383089820795E+03 0.65564E-01 -0.25776E-01 327 0.112E+00 0.102E+00
DAV: 11 -0.383078592340E+03 0.11228E-01 -0.27722E-01 336 0.603E-01 0.763E-01
DAV: 12 -0.383042055668E+03 0.36537E-01 -0.54298E-02 327 0.486E-01 0.395E-01
DAV: 13 -0.383026668228E+03 0.15387E-01 -0.32981E-02 327 0.549E-01 0.550E-01
DAV: 14 -0.383023402421E+03 0.32658E-02 -0.11907E-02 345 0.301E-01 0.337E-01
DAV: 15 -0.383023876546E+03 -0.47413E-03 -0.55650E-03 300 0.217E-01 0.165E-01
DAV: 16 -0.383031668442E+03 -0.77919E-02 -0.53534E-03 309 0.245E-01 0.117E-01
DAV: 17 -0.383041270554E+03 -0.96021E-02 -0.26759E-03 318 0.161E-01 0.875E-02
DAV: 18 -0.383049834485E+03 -0.85639E-02 -0.20064E-03 309 0.118E-01 0.111E-01
DAV: 19 -0.383059095866E+03 -0.92614E-02 -0.26181E-03 318 0.980E-02 0.636E-02
DAV: 20 -0.383064286525E+03 -0.51907E-02 -0.63687E-04 336 0.633E-02 0.346E-02
DAV: 21 -0.383068510803E+03 -0.42243E-02 -0.23880E-04 300 0.380E-02 0.259E-02
DAV: 22 -0.383072017944E+03 -0.35071E-02 -0.17977E-04 318 0.243E-02 0.209E-02
DAV: 23 -0.383074221407E+03 -0.22035E-02 -0.11265E-04 300 0.239E-02 0.113E-02
DAV: 24 -0.383075686062E+03 -0.14647E-02 -0.71460E-05 300 0.154E-02 0.719E-03
DAV: 25 -0.383076129727E+03 -0.44366E-03 -0.14565E-05 237 0.104E-02 0.523E-03
DAV: 26 -0.383076586196E+03 -0.45647E-03 -0.20026E-05 237 0.811E-03 0.675E-03
DAV: 27 -0.383076709169E+03 -0.12297E-03 -0.35625E-06 228 0.480E-03 0.348E-03
DAV: 28 -0.383076804137E+03 -0.94968E-04 -0.50446E-06 192 0.564E-03 0.249E-03
DAV: 29 -0.383076846131E+03 -0.41994E-04 -0.12605E-06 228 0.317E-03 0.174E-03
DAV: 30 -0.383076874093E+03 -0.27962E-04 -0.10235E-06 192 0.218E-03 0.967E-04
DAV: 31 -0.383076892039E+03 -0.17946E-04 -0.56030E-07 219 0.146E-03 0.671E-04
DAV: 32 -0.383076903665E+03 -0.11626E-04 -0.40002E-07 210 0.129E-03 0.360E-04
DAV: 33 -0.383076907733E+03 -0.40683E-05 -0.18525E-07 228 0.802E-04
1 F= -.38307691E+03 E0= -.38309411E+03 d E =0.516017E-01