./iterations/neb0_image06_iter14_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.145137676503E+04 0.14514E+04 -0.44226E+04 330 0.697E+02
DAV: 2 0.227816820687E+03 -0.12236E+04 -0.11475E+04 426 0.163E+02
DAV: 3 -0.365355978034E+03 -0.59317E+03 -0.58986E+03 354 0.114E+02
DAV: 4 -0.433189793579E+03 -0.67834E+02 -0.67579E+02 318 0.490E+01
DAV: 5 -0.434672721297E+03 -0.14829E+01 -0.14805E+01 318 0.757E+00 0.427E+01
DAV: 6 -0.388833059015E+03 0.45840E+02 -0.14837E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385393604339E+03 0.34395E+01 -0.13347E+01 345 0.783E+00 0.104E+01
DAV: 8 -0.383950462702E+03 0.14431E+01 -0.25676E+00 336 0.394E+00 0.438E+00
DAV: 9 -0.383420019793E+03 0.53044E+00 -0.16895E+00 336 0.244E+00 0.134E+00
DAV: 10 -0.383326172440E+03 0.93847E-01 -0.17219E-01 327 0.116E+00 0.117E+00
DAV: 11 -0.383312287971E+03 0.13884E-01 -0.52402E-01 354 0.103E+00 0.876E-01
DAV: 12 -0.383281356755E+03 0.30931E-01 -0.39266E-02 327 0.511E-01 0.732E-01
DAV: 13 -0.383277040684E+03 0.43161E-02 -0.24046E-02 354 0.445E-01 0.903E-01
DAV: 14 -0.383261856253E+03 0.15184E-01 -0.16142E-01 372 0.535E-01 0.679E-01
DAV: 15 -0.383258442579E+03 0.34137E-02 -0.11009E-01 363 0.418E-01 0.593E-01
DAV: 16 -0.383254382410E+03 0.40602E-02 -0.23303E-02 327 0.302E-01 0.288E-01
DAV: 17 -0.383258347435E+03 -0.39650E-02 -0.55883E-03 300 0.227E-01 0.266E-01
DAV: 18 -0.383265433383E+03 -0.70859E-02 -0.50953E-03 345 0.201E-01 0.153E-01
DAV: 19 -0.383277791924E+03 -0.12359E-01 -0.55778E-03 300 0.219E-01 0.157E-01
DAV: 20 -0.383281081587E+03 -0.32897E-02 -0.14675E-03 318 0.113E-01 0.113E-01
DAV: 21 -0.383283221905E+03 -0.21403E-02 -0.28917E-04 336 0.432E-02 0.944E-02
DAV: 22 -0.383290932368E+03 -0.77105E-02 -0.69093E-04 300 0.586E-02 0.732E-02
DAV: 23 -0.383297169164E+03 -0.62368E-02 -0.49416E-04 318 0.574E-02 0.615E-02
DAV: 24 -0.383298434021E+03 -0.12649E-02 -0.22771E-04 318 0.383E-02 0.267E-02
DAV: 25 -0.383299892843E+03 -0.14588E-02 -0.72362E-05 300 0.200E-02 0.166E-02
DAV: 26 -0.383303006879E+03 -0.31140E-02 -0.20128E-04 273 0.252E-02 0.127E-02
DAV: 27 -0.383303785247E+03 -0.77837E-03 -0.41997E-05 291 0.139E-02 0.134E-02
DAV: 28 -0.383303998257E+03 -0.21301E-03 -0.67073E-06 246 0.694E-03 0.933E-03
DAV: 29 -0.383304400387E+03 -0.40213E-03 -0.13235E-05 210 0.745E-03 0.102E-02
DAV: 30 -0.383304598553E+03 -0.19817E-03 -0.14602E-05 219 0.694E-03 0.493E-03
DAV: 31 -0.383304657036E+03 -0.58483E-04 -0.33568E-06 237 0.463E-03 0.360E-03
DAV: 32 -0.383304723108E+03 -0.66073E-04 -0.22690E-06 201 0.325E-03 0.220E-03
DAV: 33 -0.383304752988E+03 -0.29879E-04 -0.14141E-06 228 0.247E-03 0.168E-03
DAV: 34 -0.383304780591E+03 -0.27603E-04 -0.11779E-06 210 0.234E-03 0.182E-03
DAV: 35 -0.383304785548E+03 -0.49563E-05 -0.40491E-07 228 0.128E-03
1 F= -.38330479E+03 E0= -.38332153E+03 d E =0.502374E-01