./iterations/neb0_image01_iter2_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 0.144719520843E+04 0.14472E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.224144865358E+03 -0.12231E+04 -0.11459E+04 435 0.163E+02
DAV: 3 -0.363082419093E+03 -0.58723E+03 -0.58379E+03 345 0.114E+02
DAV: 4 -0.433510734920E+03 -0.70428E+02 -0.70153E+02 318 0.508E+01
DAV: 5 -0.435082702721E+03 -0.15720E+01 -0.15695E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389101744814E+03 0.45981E+02 -0.14806E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385630170704E+03 0.34716E+01 -0.13603E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384151603451E+03 0.14786E+01 -0.21189E+00 327 0.383E+00 0.433E+00
DAV: 9 -0.383610075828E+03 0.54153E+00 -0.17608E+00 336 0.243E+00 0.139E+00
DAV: 10 -0.383540238123E+03 0.69838E-01 -0.29490E-01 318 0.114E+00 0.105E+00
DAV: 11 -0.383518942851E+03 0.21295E-01 -0.28517E-01 354 0.648E-01 0.992E-01
DAV: 12 -0.383491667958E+03 0.27275E-01 -0.22319E-01 327 0.696E-01 0.895E-01
DAV: 13 -0.383476143872E+03 0.15524E-01 -0.17263E-01 363 0.541E-01 0.678E-01
DAV: 14 -0.383463855461E+03 0.12288E-01 -0.22736E-02 354 0.384E-01 0.329E-01
DAV: 15 -0.383461369181E+03 0.24863E-02 -0.12509E-02 309 0.374E-01 0.188E-01
DAV: 16 -0.383467831303E+03 -0.64621E-02 -0.63402E-03 336 0.250E-01 0.193E-01
DAV: 17 -0.383476236936E+03 -0.84056E-02 -0.28463E-03 300 0.181E-01 0.167E-01
DAV: 18 -0.383482969965E+03 -0.67330E-02 -0.26260E-03 363 0.157E-01 0.133E-01
DAV: 19 -0.383489948533E+03 -0.69786E-02 -0.31516E-03 363 0.147E-01 0.129E-01
DAV: 20 -0.383493355777E+03 -0.34072E-02 -0.10691E-03 300 0.755E-02 0.102E-01
DAV: 21 -0.383496671736E+03 -0.33160E-02 -0.84144E-04 318 0.592E-02 0.100E-01
DAV: 22 -0.383502248881E+03 -0.55771E-02 -0.96648E-04 318 0.589E-02 0.556E-02
DAV: 23 -0.383505369366E+03 -0.31205E-02 -0.19588E-04 318 0.335E-02 0.358E-02
DAV: 24 -0.383508503655E+03 -0.31343E-02 -0.15023E-04 309 0.271E-02 0.247E-02
DAV: 25 -0.383511039872E+03 -0.25362E-02 -0.26417E-04 318 0.322E-02 0.392E-02
DAV: 26 -0.383511621608E+03 -0.58174E-03 -0.41468E-05 318 0.174E-02 0.180E-02
DAV: 27 -0.383512452631E+03 -0.83102E-03 -0.63960E-05 300 0.165E-02 0.675E-03
DAV: 28 -0.383512863337E+03 -0.41071E-03 -0.14592E-05 237 0.905E-03 0.683E-03
DAV: 29 -0.383513114538E+03 -0.25120E-03 -0.88500E-06 219 0.628E-03 0.559E-03
DAV: 30 -0.383513258218E+03 -0.14368E-03 -0.93104E-06 228 0.533E-03 0.354E-03
DAV: 31 -0.383513343267E+03 -0.85049E-04 -0.39823E-06 219 0.383E-03 0.210E-03
DAV: 32 -0.383513368053E+03 -0.24786E-04 -0.13370E-06 228 0.222E-03 0.104E-03
DAV: 33 -0.383513390609E+03 -0.22556E-04 -0.82182E-07 201 0.182E-03 0.841E-04
DAV: 34 -0.383513404458E+03 -0.13849E-04 -0.66622E-07 210 0.137E-03 0.706E-04
DAV: 35 -0.383513409199E+03 -0.47407E-05 -0.25976E-07 228 0.106E-03
1 F= -.38351341E+03 E0= -.38353009E+03 d E =0.500334E-01