The ABINIT Users Mailing List ( CLOSED )

["Wu Rongqin" <g0203654@nus.edu.sg>]

Dear all abinit developers

 

When I use abinit to calculate non-linear optics of ZnO in wurtzite structure, the program stopped with following:

 

ioarr: data read from disk file t52o_DS4_DEN16

 getkgrid : length of smallest supercell vector (bohr)=    9.769884E+00

       Simple Lattice Grid

 getkgrid : BUG -

  The argument nkpt=     8, does not match

  the number of k points generated by kptopt, kptrlatt, shiftk,

  and the eventual symmetries, that is, nkpt=     4.

  However, note that it might due to the user,

  if nkpt is explicitely defined in the input file.

  In this case, please check your input file.

  Action : contact ABINIT group.

 

I checked the input files and found that everything is ok. So if it is possible to calculate nonlinear optics for hexagonal system?

 

 

Rongqin