iterations/neb0_image06_iter48_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144304266706E+04 0.14430E+04 -0.44203E+04 330 0.697E+02
DAV: 2 0.234683004346E+03 -0.12084E+04 -0.11328E+04 408 0.163E+02
DAV: 3 -0.366137103645E+03 -0.60082E+03 -0.59739E+03 363 0.115E+02
DAV: 4 -0.432094115096E+03 -0.65957E+02 -0.65713E+02 309 0.477E+01
DAV: 5 -0.433543144412E+03 -0.14490E+01 -0.14461E+01 327 0.740E+00 0.424E+01
DAV: 6 -0.388107593594E+03 0.45436E+02 -0.14923E+02 309 0.286E+01 0.207E+01
DAV: 7 -0.384740822467E+03 0.33668E+01 -0.12941E+01 345 0.771E+00 0.104E+01
DAV: 8 -0.383287529159E+03 0.14533E+01 -0.23725E+00 327 0.384E+00 0.434E+00
DAV: 9 -0.382732295145E+03 0.55523E+00 -0.11967E+00 336 0.227E+00 0.121E+00
DAV: 10 -0.382667178376E+03 0.65117E-01 -0.34419E-01 345 0.110E+00 0.106E+00
DAV: 11 -0.382641155761E+03 0.26023E-01 -0.24287E-01 336 0.613E-01 0.975E-01
DAV: 12 -0.382620784285E+03 0.20371E-01 -0.23051E-01 372 0.704E-01 0.958E-01
DAV: 13 -0.382601501499E+03 0.19283E-01 -0.31303E-02 354 0.457E-01 0.614E-01
DAV: 14 -0.382593933294E+03 0.75682E-02 -0.42891E-02 327 0.358E-01 0.698E-01
DAV: 15 -0.382589068974E+03 0.48643E-02 -0.53022E-02 363 0.345E-01 0.392E-01
DAV: 16 -0.382590474602E+03 -0.14056E-02 -0.11835E-02 300 0.284E-01 0.223E-01
DAV: 17 -0.382597673515E+03 -0.71989E-02 -0.57635E-03 318 0.214E-01 0.195E-01
DAV: 18 -0.382607594795E+03 -0.99213E-02 -0.25157E-03 291 0.163E-01 0.769E-02
DAV: 19 -0.382617756884E+03 -0.10162E-01 -0.22950E-03 309 0.141E-01 0.533E-02
DAV: 20 -0.382626124270E+03 -0.83674E-02 -0.11758E-03 336 0.913E-02 0.428E-02
DAV: 21 -0.382630990944E+03 -0.48667E-02 -0.19696E-04 327 0.348E-02 0.341E-02
DAV: 22 -0.382635403402E+03 -0.44125E-02 -0.23417E-04 309 0.366E-02 0.181E-02
DAV: 23 -0.382638420469E+03 -0.30171E-02 -0.15348E-04 309 0.246E-02 0.160E-02
DAV: 24 -0.382639773615E+03 -0.13531E-02 -0.52121E-05 300 0.166E-02 0.815E-03
DAV: 25 -0.382640632921E+03 -0.85931E-03 -0.35277E-05 264 0.123E-02 0.684E-03
DAV: 26 -0.382641046173E+03 -0.41325E-03 -0.83750E-06 228 0.665E-03 0.439E-03
DAV: 27 -0.382641403312E+03 -0.35714E-03 -0.19976E-05 228 0.849E-03 0.354E-03
DAV: 28 -0.382641474079E+03 -0.70767E-04 -0.19663E-06 237 0.433E-03 0.203E-03
DAV: 29 -0.382641535586E+03 -0.61507E-04 -0.26647E-06 192 0.405E-03 0.148E-03
DAV: 30 -0.382641566397E+03 -0.30811E-04 -0.83766E-07 219 0.235E-03 0.906E-04
DAV: 31 -0.382641602560E+03 -0.36163E-04 -0.13097E-06 201 0.261E-03 0.827E-04
DAV: 32 -0.382641616028E+03 -0.13468E-04 -0.52951E-07 219 0.160E-03 0.567E-04
DAV: 33 -0.382641622268E+03 -0.62397E-05 -0.34720E-07 210 0.132E-03
1 F= -.38264162E+03 E0= -.38265885E+03 d E =0.516746E-01