iterations/neb0_image01_iter39_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 0.144353470647E+04 0.14435E+04 -0.44154E+04 330 0.697E+02
DAV: 2 0.223542623052E+03 -0.12200E+04 -0.11440E+04 435 0.162E+02
DAV: 3 -0.362186480370E+03 -0.58573E+03 -0.58244E+03 345 0.113E+02
DAV: 4 -0.432752087516E+03 -0.70566E+02 -0.70274E+02 318 0.508E+01
DAV: 5 -0.434354162148E+03 -0.16021E+01 -0.15995E+01 318 0.784E+00 0.425E+01
DAV: 6 -0.388466048431E+03 0.45888E+02 -0.14938E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.384984688566E+03 0.34814E+01 -0.12957E+01 336 0.775E+00 0.104E+01
DAV: 8 -0.383492998899E+03 0.14917E+01 -0.18820E+00 327 0.383E+00 0.422E+00
DAV: 9 -0.382932990187E+03 0.56001E+00 -0.61109E-01 336 0.193E+00 0.104E+00
DAV: 10 -0.382886538558E+03 0.46452E-01 -0.25627E-01 336 0.893E-01 0.904E-01
DAV: 11 -0.382856753828E+03 0.29785E-01 -0.23599E-02 345 0.514E-01 0.567E-01
DAV: 12 -0.382830657063E+03 0.26097E-01 -0.21252E-02 318 0.443E-01 0.327E-01
DAV: 13 -0.382820138656E+03 0.10518E-01 -0.42996E-02 309 0.431E-01 0.460E-01
DAV: 14 -0.382818739803E+03 0.13989E-02 -0.28757E-02 327 0.243E-01 0.214E-01
DAV: 15 -0.382822800443E+03 -0.40606E-02 -0.73518E-03 309 0.224E-01 0.177E-01
DAV: 16 -0.382834035825E+03 -0.11235E-01 -0.65805E-03 300 0.228E-01 0.162E-01
DAV: 17 -0.382840103727E+03 -0.60679E-02 -0.25896E-03 336 0.148E-01 0.937E-02
DAV: 18 -0.382850433985E+03 -0.10330E-01 -0.16894E-03 282 0.121E-01 0.772E-02
DAV: 19 -0.382857968538E+03 -0.75346E-02 -0.83617E-04 318 0.813E-02 0.421E-02
DAV: 20 -0.382863885261E+03 -0.59167E-02 -0.46646E-04 336 0.595E-02 0.371E-02
DAV: 21 -0.382869524577E+03 -0.56393E-02 -0.26265E-04 300 0.363E-02 0.383E-02
DAV: 22 -0.382872585611E+03 -0.30610E-02 -0.14669E-04 336 0.268E-02 0.130E-02
DAV: 23 -0.382875397917E+03 -0.28123E-02 -0.17071E-04 291 0.271E-02 0.114E-02
DAV: 24 -0.382876426949E+03 -0.10290E-02 -0.41943E-05 309 0.124E-02 0.809E-03
DAV: 25 -0.382876896021E+03 -0.46907E-03 -0.21161E-05 246 0.126E-02 0.553E-03
DAV: 26 -0.382877128891E+03 -0.23287E-03 -0.71396E-06 228 0.634E-03 0.411E-03
DAV: 27 -0.382877298572E+03 -0.16968E-03 -0.54007E-06 201 0.531E-03 0.292E-03
DAV: 28 -0.382877437759E+03 -0.13919E-03 -0.66135E-06 219 0.632E-03 0.258E-03
DAV: 29 -0.382877460472E+03 -0.22713E-04 -0.14326E-06 237 0.334E-03 0.169E-03
DAV: 30 -0.382877490574E+03 -0.30102E-04 -0.21907E-06 192 0.419E-03 0.148E-03
DAV: 31 -0.382877498165E+03 -0.75907E-05 -0.49469E-07 228 0.238E-03
1 F= -.38287750E+03 E0= -.38289430E+03 d E =0.503940E-01