[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