[求助] ABINIT计算过程中OUT文件中提示Symmetries : the unit cell is not primitive

请问各位高手用ABINIT计算过程中OUT文件中提示Symmetries : the unit cell is not primitive，这样得到的计算结果是正确的吗？我建的是晶胞 # Crystalline aluminum : optimization of the lattice parameter # at fixed number of k points and broadening. #Definition of occupation numbers occopt 1 tsmear 0.05 #Definition of the unit cell acell 7.24385633  7.24385633  23.7996219           # This is equivalent to   7.60 7.60 7.60 #rprim  1.0  0.0  0.0   # FCC primitive vectors (to be scaled by acell) #      0.0  1.0  0.0   #     0.0  0.0  1.0 angdeg  90 90 90 chkprim 0 #Optimization of the lattice parameters optcell 2 ionmov  3 ntime  10 dilatmx 1.05 ecutsm  0.5 iscf 5 #Definition of the atom types ntypat 3          # There is only one type of atom znucl  8 29 57          # The keyword "znucl" refers to the atomic number of the                   # possible type(s) of atom. The pseudopotential(s)                   # mentioned in the "files" file must correspond                   # to the type(s) of atom. Here, the only type is Aluminum #Definition of the atoms natom 14           # There is only one atom per cell typat 1  1  2  3  1  1  3  1  1  2  3  1  1  3        # This atom is of type 1, that is, Aluminum xred              # This keyword indicate that the location of the atoms      5.0000000000E-01  0.0000000000E+00  0.0000000000E+00     -6.1629758220E-33 -6.1629758220E-33  1.5781000000E-01      0.0000000000E+00  0.0000000000E+00  0.0000000000E+00     -2.4651903288E-32 -2.4651903288E-32  3.5514000000E-01      0.0000000000E+00  5.0000000000E-01  0.0000000000E+00      6.1629758220E-33  6.1629758220E-33  8.4219000000E-01      2.4651903288E-32  2.4651903288E-32  6.4486000000E-01      0.0000000000E+00  5.0000000000E-01  5.0000000000E-01      5.0000000000E-01  5.0000000000E-01  6.5781000000E-01      5.0000000000E-01  5.0000000000E-01  5.0000000000E-01      5.0000000000E-01  5.0000000000E-01  8.5514000000E-01      5.0000000000E-01  0.0000000000E+00  5.0000000000E-01      5.0000000000E-01  5.0000000000E-01  3.4219000000E-01      5.0000000000E-01  5.0000000000E-01  1.4486000000E-01 #Definition of the planewave basis set ecut  25.0         # Maximal kinetic energy cut-off, in Hartree #Exchange-correlation functional ixc 11             # LDA Teter Pade parametrization #Definition of the k-point grid kptopt 1 ngkpt 4 4 4       # This is a 2x2x2 FCC grid, based on the primitive vectors nshiftk 1         # of the reciprocal space. For a FCC real space lattice,                   # like the present one, it actually corresponds to the                   # so-called 4x4x4 Monkhorst-Pack grid, if the following shifts                   # are used : shiftk 0.5 0.5 0.5 #Definition of the SCF procedure nstep 1000          # Maximal number of SCF cycles toldfe 1.0d-6     # Will stop when, twice in a row, the difference                   # between two consecutive evaluations of total energy                   # differ by less than toldfe (in Hartree)                   # This value is way too large for most realistic studies of materials getwfk -1                                                                                                                                                          prtden 0                                                                                                                                                            prteig 0 非常感谢！！！

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