iterations/neb0_image05_iter24_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 0.145035401170E+04 0.14504E+04 -0.44212E+04 330 0.697E+02
DAV: 2 0.232474995044E+03 -0.12179E+04 -0.11428E+04 417 0.163E+02
DAV: 3 -0.361070976601E+03 -0.59355E+03 -0.59033E+03 345 0.114E+02
DAV: 4 -0.433167647251E+03 -0.72097E+02 -0.71852E+02 309 0.515E+01
DAV: 5 -0.434815391277E+03 -0.16477E+01 -0.16449E+01 318 0.798E+00 0.426E+01
DAV: 6 -0.388965943139E+03 0.45849E+02 -0.14711E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385516345051E+03 0.34496E+01 -0.13441E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384069447342E+03 0.14469E+01 -0.24901E+00 336 0.390E+00 0.439E+00
DAV: 9 -0.383531080155E+03 0.53837E+00 -0.15954E+00 336 0.240E+00 0.132E+00
DAV: 10 -0.383440619704E+03 0.90460E-01 -0.17225E-01 327 0.117E+00 0.969E-01
DAV: 11 -0.383411311268E+03 0.29308E-01 -0.83697E-02 336 0.842E-01 0.824E-01
DAV: 12 -0.383390706562E+03 0.20605E-01 -0.23131E-02 327 0.517E-01 0.493E-01
DAV: 13 -0.383377574323E+03 0.13132E-01 -0.38484E-02 309 0.379E-01 0.518E-01
DAV: 14 -0.383375015173E+03 0.25592E-02 -0.11307E-01 354 0.433E-01 0.609E-01
DAV: 15 -0.383370967904E+03 0.40473E-02 -0.27571E-02 309 0.339E-01 0.416E-01
DAV: 16 -0.383372406686E+03 -0.14388E-02 -0.69960E-03 336 0.255E-01 0.362E-01
DAV: 17 -0.383378343790E+03 -0.59371E-02 -0.37343E-03 300 0.207E-01 0.127E-01
DAV: 18 -0.383391091970E+03 -0.12748E-01 -0.33450E-03 300 0.170E-01 0.107E-01
DAV: 19 -0.383399588575E+03 -0.84966E-02 -0.14708E-03 327 0.111E-01 0.111E-01
DAV: 20 -0.383407344303E+03 -0.77557E-02 -0.90921E-04 327 0.742E-02 0.435E-02
DAV: 21 -0.383414557764E+03 -0.72135E-02 -0.47271E-04 309 0.498E-02 0.214E-02
DAV: 22 -0.383417156934E+03 -0.25992E-02 -0.92499E-05 327 0.220E-02 0.173E-02
DAV: 23 -0.383420137844E+03 -0.29809E-02 -0.15070E-04 291 0.224E-02 0.136E-02
DAV: 24 -0.383421270405E+03 -0.11326E-02 -0.43602E-05 291 0.134E-02 0.106E-02
DAV: 25 -0.383421893918E+03 -0.62351E-03 -0.23756E-05 246 0.106E-02 0.480E-03
DAV: 26 -0.383422208339E+03 -0.31442E-03 -0.82891E-06 219 0.610E-03 0.365E-03
DAV: 27 -0.383422463500E+03 -0.25516E-03 -0.97965E-06 210 0.676E-03 0.258E-03
DAV: 28 -0.383422556669E+03 -0.93169E-04 -0.32679E-06 228 0.398E-03 0.222E-03
DAV: 29 -0.383422611958E+03 -0.55289E-04 -0.23754E-06 201 0.363E-03 0.124E-03
DAV: 30 -0.383422637315E+03 -0.25357E-04 -0.13329E-06 228 0.244E-03 0.121E-03
DAV: 31 -0.383422649138E+03 -0.11822E-04 -0.54165E-07 210 0.161E-03 0.785E-04
DAV: 32 -0.383422661630E+03 -0.12493E-04 -0.94012E-07 219 0.277E-03 0.120E-03
DAV: 33 -0.383422663928E+03 -0.22979E-05 -0.23788E-07 228 0.155E-03
1 F= -.38342266E+03 E0= -.38343934E+03 d E =0.500430E-01