./iterations/neb0_image01_iter22_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 0.144725767422E+04 0.14473E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224150731411E+03 -0.12231E+04 -0.11460E+04 435 0.163E+02
DAV: 3 -0.363090369105E+03 -0.58724E+03 -0.58381E+03 345 0.114E+02
DAV: 4 -0.433517981247E+03 -0.70428E+02 -0.70152E+02 318 0.508E+01
DAV: 5 -0.435090042976E+03 -0.15721E+01 -0.15696E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389102534989E+03 0.45988E+02 -0.14808E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385629997962E+03 0.34725E+01 -0.13561E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384152213440E+03 0.14778E+01 -0.21208E+00 327 0.382E+00 0.433E+00
DAV: 9 -0.383610064368E+03 0.54215E+00 -0.17400E+00 336 0.242E+00 0.137E+00
DAV: 10 -0.383540013670E+03 0.70051E-01 -0.28553E-01 318 0.114E+00 0.105E+00
DAV: 11 -0.383519607704E+03 0.20406E-01 -0.28847E-01 354 0.645E-01 0.994E-01
DAV: 12 -0.383493092606E+03 0.26515E-01 -0.22676E-01 327 0.701E-01 0.917E-01
DAV: 13 -0.383476709418E+03 0.16383E-01 -0.18292E-01 363 0.551E-01 0.680E-01
DAV: 14 -0.383464085481E+03 0.12624E-01 -0.22039E-02 354 0.387E-01 0.311E-01
DAV: 15 -0.383461827343E+03 0.22581E-02 -0.12932E-02 309 0.377E-01 0.189E-01
DAV: 16 -0.383468147936E+03 -0.63206E-02 -0.60480E-03 327 0.245E-01 0.194E-01
DAV: 17 -0.383476317637E+03 -0.81697E-02 -0.28983E-03 309 0.184E-01 0.168E-01
DAV: 18 -0.383482516121E+03 -0.61985E-02 -0.26447E-03 354 0.155E-01 0.124E-01
DAV: 19 -0.383491941826E+03 -0.94257E-02 -0.51822E-03 354 0.163E-01 0.195E-01
DAV: 20 -0.383491405894E+03 0.53593E-03 -0.26966E-03 327 0.860E-02 0.873E-02
DAV: 21 -0.383496853106E+03 -0.54472E-02 -0.65486E-04 309 0.659E-02 0.105E-01
DAV: 22 -0.383501499984E+03 -0.46469E-02 -0.59966E-04 327 0.566E-02 0.403E-02
DAV: 23 -0.383505774989E+03 -0.42750E-02 -0.26550E-04 318 0.475E-02 0.653E-02
DAV: 24 -0.383508760822E+03 -0.29858E-02 -0.18481E-04 309 0.322E-02 0.325E-02
DAV: 25 -0.383510857214E+03 -0.20964E-02 -0.11510E-04 318 0.234E-02 0.221E-02
DAV: 26 -0.383511889959E+03 -0.10327E-02 -0.49173E-05 318 0.163E-02 0.118E-02
DAV: 27 -0.383512863561E+03 -0.97360E-03 -0.43903E-05 300 0.131E-02 0.134E-02
DAV: 28 -0.383513407688E+03 -0.54413E-03 -0.24698E-05 264 0.102E-02 0.659E-03
DAV: 29 -0.383513629352E+03 -0.22166E-03 -0.11389E-05 228 0.746E-03 0.529E-03
DAV: 30 -0.383513763289E+03 -0.13394E-03 -0.61574E-06 219 0.564E-03 0.276E-03
DAV: 31 -0.383513847885E+03 -0.84596E-04 -0.44905E-06 228 0.380E-03 0.289E-03
DAV: 32 -0.383513871840E+03 -0.23955E-04 -0.10875E-06 228 0.227E-03 0.184E-03
DAV: 33 -0.383513901307E+03 -0.29467E-04 -0.11233E-06 210 0.214E-03 0.207E-03
DAV: 34 -0.383513912884E+03 -0.11577E-04 -0.45355E-07 228 0.158E-03 0.105E-03
DAV: 35 -0.383513921740E+03 -0.88565E-05 -0.57710E-07 210 0.144E-03
1 F= -.38351392E+03 E0= -.38353059E+03 d E =0.499901E-01