./iterations/neb0_image01_iter23_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 0.144725978774E+04 0.14473E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224151801117E+03 -0.12231E+04 -0.11460E+04 435 0.163E+02
DAV: 3 -0.363090480306E+03 -0.58724E+03 -0.58381E+03 345 0.114E+02
DAV: 4 -0.433518686001E+03 -0.70428E+02 -0.70153E+02 318 0.508E+01
DAV: 5 -0.435090782020E+03 -0.15721E+01 -0.15696E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389102688139E+03 0.45988E+02 -0.14808E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385629852658E+03 0.34728E+01 -0.13552E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384152143228E+03 0.14777E+01 -0.21184E+00 327 0.382E+00 0.433E+00
DAV: 9 -0.383609934358E+03 0.54221E+00 -0.17359E+00 336 0.242E+00 0.137E+00
DAV: 10 -0.383540317708E+03 0.69617E-01 -0.29006E-01 318 0.114E+00 0.105E+00
DAV: 11 -0.383519493856E+03 0.20824E-01 -0.28672E-01 354 0.645E-01 0.994E-01
DAV: 12 -0.383492871216E+03 0.26623E-01 -0.22588E-01 327 0.699E-01 0.912E-01
DAV: 13 -0.383476762048E+03 0.16109E-01 -0.17815E-01 363 0.544E-01 0.679E-01
DAV: 14 -0.383464366605E+03 0.12395E-01 -0.21964E-02 354 0.385E-01 0.329E-01
DAV: 15 -0.383461837275E+03 0.25293E-02 -0.12902E-02 309 0.378E-01 0.193E-01
DAV: 16 -0.383468131090E+03 -0.62938E-02 -0.63290E-03 327 0.250E-01 0.194E-01
DAV: 17 -0.383476109036E+03 -0.79779E-02 -0.29551E-03 309 0.184E-01 0.171E-01
DAV: 18 -0.383482426095E+03 -0.63171E-02 -0.27227E-03 354 0.158E-01 0.125E-01
DAV: 19 -0.383491727822E+03 -0.93017E-02 -0.44001E-03 372 0.156E-01 0.176E-01
DAV: 20 -0.383490869463E+03 0.85836E-03 -0.29390E-03 327 0.828E-02 0.890E-02
DAV: 21 -0.383497122345E+03 -0.62529E-02 -0.64678E-04 300 0.684E-02 0.969E-02
DAV: 22 -0.383501868669E+03 -0.47463E-02 -0.60608E-04 327 0.561E-02 0.406E-02
DAV: 23 -0.383505836124E+03 -0.39675E-02 -0.22114E-04 318 0.417E-02 0.520E-02
DAV: 24 -0.383509299883E+03 -0.34638E-02 -0.19105E-04 309 0.332E-02 0.366E-02
DAV: 25 -0.383511047253E+03 -0.17474E-02 -0.93655E-05 318 0.207E-02 0.231E-02
DAV: 26 -0.383511977848E+03 -0.93059E-03 -0.55708E-05 327 0.165E-02 0.124E-02
DAV: 27 -0.383512965730E+03 -0.98788E-03 -0.47366E-05 309 0.136E-02 0.161E-02
DAV: 28 -0.383513471177E+03 -0.50545E-03 -0.25085E-05 273 0.988E-03 0.929E-03
DAV: 29 -0.383513676225E+03 -0.20505E-03 -0.11626E-05 246 0.794E-03 0.500E-03
DAV: 30 -0.383513802876E+03 -0.12665E-03 -0.56248E-06 210 0.536E-03 0.233E-03
DAV: 31 -0.383513875994E+03 -0.73118E-04 -0.29237E-06 219 0.319E-03 0.200E-03
DAV: 32 -0.383513910957E+03 -0.34963E-04 -0.13544E-06 228 0.244E-03 0.160E-03
DAV: 33 -0.383513941762E+03 -0.30805E-04 -0.12483E-06 210 0.198E-03 0.199E-03
DAV: 34 -0.383513950045E+03 -0.82831E-05 -0.49250E-07 228 0.151E-03
1 F= -.38351395E+03 E0= -.38353062E+03 d E =0.500017E-01