[Discus-talk] hk0 layer in a hexagonal symmetry looks tetragonal

[Volodymyr S. <sv...@es...>]

Hi DISCUS users,

I have tried to generate an hk0 layer for the hexagonal Gd metal but, 
somehow, it looks tetragonal.
I have attached the hk0 layer I have obtained.

The sequence of steps I do:


1) generate 50x50x1 Gd crystal
*******************************************************************
read
cell /home/svitlyk/mac/discus/gd_hex.str, 50, 50, 1
save /home/svitlyk/mac/discus/gd_hex_crystal.str
plot
outfile /home/svitlyk/mac/kuplot/gd_hex_crystal.plot
sel all
run
exit
*******************************************************************

with the following gd_hex.str
*******************************************************************
title gd_hex
spcgr P63/mmc
cell 3.6330, 3.6330, 5.7739, 90.0, 90.0, 120.0
atoms
Gd 0.33333 0.66667 0.25 0.2
*******************************************************************

then run a Fourier routine
*******************************************************************
read
stru /home/svitlyk/mac/discus/gd_hex_crystal.str
four
xray
wvle moa1
ll -4.0,-4.0,0.0
lr 4.0,-4.0,0.0
ul -4.0,4.0,0.0
na 200
no 200
lots eli,10,10,1,100,y
run
exit
@output
*******************************************************************

Thank you for your help!
Volodymyr