[xcrysden] wien_kpath help

Zsolt Rak xcrysden@democritos.it
Wed, 22 Nov 2006 08:21:41 -0500


Dear all,

I am a wien2k user, and I have problems with the selection of  the 
k-path in a monoclinic lattice. After the selection of the kpoints along 
high symmetry lines, the /case.klist /file produced by xcrysden looks 
like the following.

Z        ********************  2.0-8.00 8.00    k-list generated by 
XCrySDen
         ********************  2.0
         ********************  2.0
M      ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
U       ********************  2.0
         ********************  2.0
         ********************  2.0
H       ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
Z        ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
         ********************  2.0
GAMMA         0    0    0*****  2.0
         *****    0**********  2.0
         *****    0**********  2.0
         *****    0**********  2.0
         *****    0**********  2.0
         *****    0**********  2.0
         *****    0**********  2.0
         *****    0**********  2.0
         *****    0**********  2.0
P        *****    0**********  2.0
         *****    0**********  2.0
         *****    0**********  2.0
         *****    0**********  2.0
         *****    0**********  2.0
         *****    0**********  2.0
         *****    0**********  2.0
         *****    0**********  2.0
         *****    0**********  2.0
         *****    0**********  2.0
         *****    0**********  2.0
         *****    0**********  2.0
         *****    0**********  2.0
         *****    0**********  2.0
         *****    0**********  2.0
         *****    0**********  2.0
         *****    0**********  2.0
         *****    0**********  2.0
Y       *****    0**********  2.0
END

Could anyone help me?
Thanks,
Zsolt