[xcrysden] Re: problem about BZ in xcrysden

[Tone Kokalj]

On Tue, 2006-09-19 at 21:19 +0800, \ =E7=99=BD=E5=AE=87\ wrote:
> Thank you for your attention.
> My wien2k struct is as follow:
> P-doped                                                                =
       =20
> P   LATTICE,NONEQUIV.ATOMS: 1225_Pmm2
> MODE OF CALC=3DRELA unit=3Dbohr=20
> 7.153120  7.153120 17.981000 90.000000 90.000000 90.000000             =
                                      =20

You specified an orthorhombic (primitive) unit-cell.
The BZ will be orthorhombic as well, and xcrysden displays it
accordingly.

Why do you think it is wrong? I cannot see why it would be wrong.=20
Could you describe in words ...


Regards, Tone