iterations/neb0_image05_iter3_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 0.145022290868E+04 0.14502E+04 -0.44208E+04 330 0.697E+02
DAV: 2 0.232721451064E+03 -0.12175E+04 -0.11428E+04 417 0.163E+02
DAV: 3 -0.364711906080E+03 -0.59743E+03 -0.59414E+03 354 0.114E+02
DAV: 4 -0.433215345420E+03 -0.68503E+02 -0.68267E+02 309 0.495E+01
DAV: 5 -0.434722156260E+03 -0.15068E+01 -0.15040E+01 327 0.763E+00 0.426E+01
DAV: 6 -0.388915207367E+03 0.45807E+02 -0.14795E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385488471192E+03 0.34267E+01 -0.13484E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384034208292E+03 0.14543E+01 -0.23801E+00 336 0.389E+00 0.436E+00
DAV: 9 -0.383490096966E+03 0.54411E+00 -0.15242E+00 327 0.241E+00 0.127E+00
DAV: 10 -0.383408264164E+03 0.81833E-01 -0.15755E-01 327 0.113E+00 0.979E-01
DAV: 11 -0.383389711785E+03 0.18552E-01 -0.26248E-01 327 0.986E-01 0.830E-01
DAV: 12 -0.383366691428E+03 0.23020E-01 -0.14126E-01 327 0.620E-01 0.786E-01
DAV: 13 -0.383356596255E+03 0.10095E-01 -0.30670E-02 327 0.291E-01 0.476E-01
DAV: 14 -0.383350826046E+03 0.57702E-02 -0.59272E-02 318 0.455E-01 0.777E-01
DAV: 15 -0.383339608843E+03 0.11217E-01 -0.92824E-02 327 0.412E-01 0.394E-01
DAV: 16 -0.383340197119E+03 -0.58828E-03 -0.74846E-03 309 0.283E-01 0.196E-01
DAV: 17 -0.383347211555E+03 -0.70144E-02 -0.49903E-03 309 0.251E-01 0.176E-01
DAV: 18 -0.383357030033E+03 -0.98185E-02 -0.50534E-03 372 0.243E-01 0.115E-01
DAV: 19 -0.383361976775E+03 -0.49467E-02 -0.20082E-03 291 0.115E-01 0.108E-01
DAV: 20 -0.383366299028E+03 -0.43223E-02 -0.16543E-03 345 0.807E-02 0.676E-02
DAV: 21 -0.383373647235E+03 -0.73482E-02 -0.15006E-03 291 0.924E-02 0.714E-02
DAV: 22 -0.383376637689E+03 -0.29905E-02 -0.23561E-04 318 0.411E-02 0.339E-02
DAV: 23 -0.383384094524E+03 -0.74568E-02 -0.56312E-04 291 0.484E-02 0.302E-02
DAV: 24 -0.383385740320E+03 -0.16458E-02 -0.16968E-04 345 0.266E-02 0.165E-02
DAV: 25 -0.383387077096E+03 -0.13368E-02 -0.56959E-05 300 0.158E-02 0.129E-02
DAV: 26 -0.383388411404E+03 -0.13343E-02 -0.68580E-05 291 0.153E-02 0.180E-02
DAV: 27 -0.383389449197E+03 -0.10378E-02 -0.58890E-05 291 0.127E-02 0.501E-03
DAV: 28 -0.383389777340E+03 -0.32814E-03 -0.10836E-05 237 0.666E-03 0.581E-03
DAV: 29 -0.383389980129E+03 -0.20279E-03 -0.59215E-06 210 0.477E-03 0.418E-03
DAV: 30 -0.383390083641E+03 -0.10351E-03 -0.41438E-06 219 0.365E-03 0.153E-03
DAV: 31 -0.383390136644E+03 -0.53003E-04 -0.19372E-06 228 0.322E-03 0.171E-03
DAV: 32 -0.383390176719E+03 -0.40075E-04 -0.19226E-06 219 0.243E-03 0.135E-03
DAV: 33 -0.383390183852E+03 -0.71330E-05 -0.55503E-07 237 0.156E-03
1 F= -.38339018E+03 E0= -.38340701E+03 d E =0.504821E-01