./iterations/neb0_image06_iter9_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 0.145168070668E+04 0.14517E+04 -0.44229E+04 330 0.697E+02
DAV: 2 0.227946648039E+03 -0.12237E+04 -0.11476E+04 426 0.163E+02
DAV: 3 -0.365412678671E+03 -0.59336E+03 -0.59005E+03 354 0.114E+02
DAV: 4 -0.433251592178E+03 -0.67839E+02 -0.67586E+02 318 0.490E+01
DAV: 5 -0.434734779775E+03 -0.14832E+01 -0.14807E+01 318 0.757E+00 0.427E+01
DAV: 6 -0.388842079700E+03 0.45893E+02 -0.14846E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385394068483E+03 0.34480E+01 -0.13316E+01 345 0.783E+00 0.104E+01
DAV: 8 -0.383945714092E+03 0.14484E+01 -0.21782E+00 336 0.389E+00 0.437E+00
DAV: 9 -0.383401346398E+03 0.54437E+00 -0.15634E+00 354 0.241E+00 0.136E+00
DAV: 10 -0.383334900843E+03 0.66446E-01 -0.41295E-01 336 0.121E+00 0.107E+00
DAV: 11 -0.383305672600E+03 0.29228E-01 -0.75455E-02 327 0.649E-01 0.692E-01
DAV: 12 -0.383283617105E+03 0.22055E-01 -0.39140E-02 327 0.474E-01 0.659E-01
DAV: 13 -0.383262845249E+03 0.20772E-01 -0.68976E-02 390 0.561E-01 0.480E-01
DAV: 14 -0.383257714572E+03 0.51307E-02 -0.17336E-02 318 0.354E-01 0.446E-01
DAV: 15 -0.383259646242E+03 -0.19317E-02 -0.22293E-02 390 0.361E-01 0.437E-01
DAV: 16 -0.383260677545E+03 -0.10313E-02 -0.28998E-02 291 0.306E-01 0.293E-01
DAV: 17 -0.383263865049E+03 -0.31875E-02 -0.10655E-02 309 0.248E-01 0.235E-01
DAV: 18 -0.383271666410E+03 -0.78014E-02 -0.43564E-03 300 0.166E-01 0.188E-01
DAV: 19 -0.383282418093E+03 -0.10752E-01 -0.20674E-03 300 0.148E-01 0.755E-02
DAV: 20 -0.383290059492E+03 -0.76414E-02 -0.14632E-03 327 0.109E-01 0.630E-02
DAV: 21 -0.383293950705E+03 -0.38912E-02 -0.46290E-04 327 0.598E-02 0.390E-02
DAV: 22 -0.383298983301E+03 -0.50326E-02 -0.21641E-04 300 0.314E-02 0.254E-02
DAV: 23 -0.383303200335E+03 -0.42170E-02 -0.23012E-04 327 0.279E-02 0.204E-02
DAV: 24 -0.383305280523E+03 -0.20802E-02 -0.94238E-05 300 0.204E-02 0.121E-02
DAV: 25 -0.383306507185E+03 -0.12267E-02 -0.54427E-05 291 0.146E-02 0.119E-02
DAV: 26 -0.383307086924E+03 -0.57974E-03 -0.20801E-05 246 0.992E-03 0.457E-03
DAV: 27 -0.383307357505E+03 -0.27058E-03 -0.73182E-06 219 0.566E-03 0.363E-03
DAV: 28 -0.383307531286E+03 -0.17378E-03 -0.56344E-06 210 0.489E-03 0.197E-03
DAV: 29 -0.383307628956E+03 -0.97670E-04 -0.33093E-06 219 0.368E-03 0.189E-03
DAV: 30 -0.383307663469E+03 -0.34513E-04 -0.18131E-06 228 0.354E-03 0.140E-03
DAV: 31 -0.383307679559E+03 -0.16091E-04 -0.89153E-07 219 0.209E-03 0.969E-04
DAV: 32 -0.383307690969E+03 -0.11410E-04 -0.42023E-07 210 0.144E-03 0.856E-04
DAV: 33 -0.383307704504E+03 -0.13535E-04 -0.58184E-07 210 0.175E-03 0.689E-04
DAV: 34 -0.383307708363E+03 -0.38584E-05 -0.16868E-07 228 0.103E-03
1 F= -.38330771E+03 E0= -.38332432E+03 d E =0.498254E-01