iterations/neb0_image03_iter10_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 0.144894758368E+04 0.14489E+04 -0.44196E+04 330 0.697E+02
DAV: 2 0.224756105318E+03 -0.12242E+04 -0.11484E+04 435 0.163E+02
DAV: 3 -0.362491877719E+03 -0.58725E+03 -0.58366E+03 345 0.114E+02
DAV: 4 -0.433402103301E+03 -0.70910E+02 -0.70681E+02 309 0.508E+01
DAV: 5 -0.434992479939E+03 -0.15904E+01 -0.15877E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389056714317E+03 0.45936E+02 -0.14796E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385595672134E+03 0.34610E+01 -0.13226E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384124719333E+03 0.14710E+01 -0.18629E+00 336 0.379E+00 0.434E+00
DAV: 9 -0.383591921469E+03 0.53280E+00 -0.94472E-01 336 0.231E+00 0.115E+00
DAV: 10 -0.383521205468E+03 0.70716E-01 -0.17271E-01 318 0.991E-01 0.887E-01
DAV: 11 -0.383498783343E+03 0.22422E-01 -0.14391E-01 336 0.585E-01 0.808E-01
DAV: 12 -0.383465570033E+03 0.33213E-01 -0.75444E-02 354 0.532E-01 0.533E-01
DAV: 13 -0.383451331479E+03 0.14239E-01 -0.21193E-02 354 0.409E-01 0.335E-01
DAV: 14 -0.383449086592E+03 0.22449E-02 -0.27621E-02 309 0.366E-01 0.722E-01
DAV: 15 -0.383446051277E+03 0.30353E-02 -0.70771E-02 381 0.345E-01 0.339E-01
DAV: 16 -0.383449745534E+03 -0.36943E-02 -0.10970E-02 309 0.228E-01 0.351E-01
DAV: 17 -0.383453872511E+03 -0.41270E-02 -0.81114E-03 291 0.210E-01 0.238E-01
DAV: 18 -0.383462179862E+03 -0.83074E-02 -0.46692E-03 309 0.177E-01 0.255E-01
DAV: 19 -0.383468864252E+03 -0.66844E-02 -0.38137E-03 309 0.150E-01 0.103E-01
DAV: 20 -0.383476715523E+03 -0.78513E-02 -0.19809E-03 336 0.119E-01 0.109E-01
DAV: 21 -0.383484974857E+03 -0.82593E-02 -0.60779E-04 309 0.724E-02 0.452E-02
DAV: 22 -0.383488563281E+03 -0.35884E-02 -0.25513E-04 327 0.414E-02 0.292E-02
DAV: 23 -0.383492279566E+03 -0.37163E-02 -0.17701E-04 300 0.279E-02 0.363E-02
DAV: 24 -0.383495517317E+03 -0.32378E-02 -0.22542E-04 318 0.274E-02 0.158E-02
DAV: 25 -0.383496505119E+03 -0.98780E-03 -0.37835E-05 291 0.140E-02 0.104E-02
DAV: 26 -0.383496995026E+03 -0.48991E-03 -0.19868E-05 255 0.110E-02 0.977E-03
DAV: 27 -0.383497318619E+03 -0.32359E-03 -0.87606E-06 228 0.664E-03 0.439E-03
DAV: 28 -0.383497591345E+03 -0.27273E-03 -0.12346E-05 228 0.772E-03 0.591E-03
DAV: 29 -0.383497668061E+03 -0.76716E-04 -0.25088E-06 237 0.420E-03 0.391E-03
DAV: 30 -0.383497740978E+03 -0.72917E-04 -0.36336E-06 210 0.449E-03 0.385E-03
DAV: 31 -0.383497774177E+03 -0.33199E-04 -0.12358E-06 228 0.366E-03 0.157E-03
DAV: 32 -0.383497793670E+03 -0.19493E-04 -0.14351E-06 210 0.280E-03 0.157E-03
DAV: 33 -0.383497804388E+03 -0.10719E-04 -0.43045E-07 219 0.186E-03 0.117E-03
DAV: 34 -0.383497813658E+03 -0.92701E-05 -0.50604E-07 210 0.167E-03
1 F= -.38349781E+03 E0= -.38351435E+03 d E =0.496129E-01