iterations/neb0_image08_iter2_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 0.145226166942E+04 0.14523E+04 -0.44266E+04 330 0.697E+02
DAV: 2 0.235433188855E+03 -0.12168E+04 -0.11431E+04 417 0.163E+02
DAV: 3 -0.358378019514E+03 -0.59381E+03 -0.59046E+03 345 0.114E+02
DAV: 4 -0.431893756382E+03 -0.73516E+02 -0.73225E+02 318 0.518E+01
DAV: 5 -0.433555608461E+03 -0.16619E+01 -0.16592E+01 318 0.803E+00 0.426E+01
DAV: 6 -0.387847022948E+03 0.45709E+02 -0.14648E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.384393227682E+03 0.34538E+01 -0.13392E+01 336 0.792E+00 0.104E+01
DAV: 8 -0.382965818651E+03 0.14274E+01 -0.20563E+00 336 0.394E+00 0.441E+00
DAV: 9 -0.382436698123E+03 0.52912E+00 -0.19714E+00 345 0.254E+00 0.128E+00
DAV: 10 -0.382361861386E+03 0.74837E-01 -0.15131E-01 327 0.107E+00 0.889E-01
DAV: 11 -0.382327125073E+03 0.34736E-01 -0.10586E-01 336 0.720E-01 0.653E-01
DAV: 12 -0.382312310494E+03 0.14815E-01 -0.76985E-02 363 0.524E-01 0.516E-01
DAV: 13 -0.382297511237E+03 0.14799E-01 -0.87115E-03 318 0.341E-01 0.339E-01
DAV: 14 -0.382293355753E+03 0.41555E-02 -0.21736E-02 318 0.420E-01 0.254E-01
DAV: 15 -0.382295243485E+03 -0.18877E-02 -0.89240E-03 318 0.327E-01 0.258E-01
DAV: 16 -0.382300731960E+03 -0.54885E-02 -0.87331E-03 336 0.228E-01 0.212E-01
DAV: 17 -0.382308158949E+03 -0.74270E-02 -0.29302E-03 291 0.167E-01 0.114E-01
DAV: 18 -0.382316055824E+03 -0.78969E-02 -0.20734E-03 318 0.128E-01 0.729E-02
DAV: 19 -0.382325729326E+03 -0.96735E-02 -0.17291E-03 318 0.140E-01 0.507E-02
DAV: 20 -0.382331186319E+03 -0.54570E-02 -0.75984E-04 327 0.741E-02 0.578E-02
DAV: 21 -0.382332975630E+03 -0.17893E-02 -0.98427E-05 318 0.263E-02 0.359E-02
DAV: 22 -0.382339417877E+03 -0.64422E-02 -0.55952E-04 297 0.460E-02 0.188E-02
DAV: 23 -0.382340761436E+03 -0.13436E-02 -0.63233E-05 309 0.172E-02 0.269E-02
DAV: 24 -0.382341365814E+03 -0.60438E-03 -0.19317E-05 255 0.115E-02 0.201E-02
DAV: 25 -0.382342376645E+03 -0.10108E-02 -0.82096E-05 300 0.208E-02 0.107E-02
DAV: 26 -0.382342538053E+03 -0.16141E-03 -0.69399E-06 228 0.866E-03 0.725E-03
DAV: 27 -0.382342886062E+03 -0.34801E-03 -0.12871E-05 210 0.834E-03 0.430E-03
DAV: 28 -0.382343066368E+03 -0.18031E-03 -0.61317E-06 219 0.517E-03 0.415E-03
DAV: 29 -0.382343153464E+03 -0.87096E-04 -0.22687E-06 228 0.329E-03 0.313E-03
DAV: 30 -0.382343215165E+03 -0.61701E-04 -0.32436E-06 201 0.434E-03 0.179E-03
DAV: 31 -0.382343224837E+03 -0.96722E-05 -0.10657E-06 237 0.254E-03
1 F= -.38234322E+03 E0= -.38235640E+03 d E =0.395321E-01