iterations/neb0_image02_iter53_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 0.144852737232E+04 0.14485E+04 -0.44195E+04 330 0.697E+02
DAV: 2 0.224463848936E+03 -0.12241E+04 -0.11471E+04 435 0.163E+02
DAV: 3 -0.363012577451E+03 -0.58748E+03 -0.58436E+03 345 0.114E+02
DAV: 4 -0.433520670332E+03 -0.70508E+02 -0.70276E+02 309 0.508E+01
DAV: 5 -0.435102274567E+03 -0.15816E+01 -0.15790E+01 318 0.780E+00 0.426E+01
DAV: 6 -0.389053931757E+03 0.46048E+02 -0.14824E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385577497893E+03 0.34764E+01 -0.13323E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.384121607988E+03 0.14559E+01 -0.20675E+00 327 0.382E+00 0.440E+00
DAV: 9 -0.383586365732E+03 0.53524E+00 -0.21281E+00 381 0.249E+00 0.153E+00
DAV: 10 -0.383505567762E+03 0.80798E-01 -0.45803E-01 318 0.123E+00 0.108E+00
DAV: 11 -0.383471933196E+03 0.33635E-01 -0.58577E-02 327 0.651E-01 0.686E-01
DAV: 12 -0.383439614946E+03 0.32318E-01 -0.53840E-02 345 0.585E-01 0.562E-01
DAV: 13 -0.383432186141E+03 0.74288E-02 -0.40289E-02 381 0.519E-01 0.796E-01
DAV: 14 -0.383423155580E+03 0.90306E-02 -0.36567E-02 354 0.389E-01 0.540E-01
DAV: 15 -0.383421685514E+03 0.14701E-02 -0.25549E-02 336 0.269E-01 0.531E-01
DAV: 16 -0.383419903679E+03 0.17818E-02 -0.18193E-02 309 0.276E-01 0.146E-01
DAV: 17 -0.383427645321E+03 -0.77416E-02 -0.62815E-03 300 0.249E-01 0.175E-01
DAV: 18 -0.383441152733E+03 -0.13507E-01 -0.38108E-03 336 0.225E-01 0.228E-01
DAV: 19 -0.383447292562E+03 -0.61398E-02 -0.18669E-03 345 0.144E-01 0.233E-01
DAV: 20 -0.383453071422E+03 -0.57789E-02 -0.11015E-03 291 0.954E-02 0.775E-02
DAV: 21 -0.383458616719E+03 -0.55453E-02 -0.50520E-04 345 0.594E-02 0.788E-02
DAV: 22 -0.383464540186E+03 -0.59235E-02 -0.43009E-04 300 0.496E-02 0.301E-02
DAV: 23 -0.383467605060E+03 -0.30649E-02 -0.16358E-04 309 0.281E-02 0.245E-02
DAV: 24 -0.383468796435E+03 -0.11914E-02 -0.37553E-05 309 0.141E-02 0.160E-02
DAV: 25 -0.383470504497E+03 -0.17081E-02 -0.75281E-05 282 0.180E-02 0.171E-02
DAV: 26 -0.383471401138E+03 -0.89664E-03 -0.30893E-05 255 0.116E-02 0.537E-03
DAV: 27 -0.383471764188E+03 -0.36305E-03 -0.15329E-05 246 0.907E-03 0.766E-03
DAV: 28 -0.383472042476E+03 -0.27829E-03 -0.87731E-06 201 0.711E-03 0.568E-03
DAV: 29 -0.383472161139E+03 -0.11866E-03 -0.49483E-06 228 0.412E-03 0.407E-03
DAV: 30 -0.383472212093E+03 -0.50954E-04 -0.21906E-06 219 0.334E-03 0.146E-03
DAV: 31 -0.383472248905E+03 -0.36812E-04 -0.17087E-06 201 0.261E-03 0.173E-03
DAV: 32 -0.383472256600E+03 -0.76958E-05 -0.59202E-07 228 0.177E-03
1 F= -.38347226E+03 E0= -.38348856E+03 d E =0.488986E-01