[Wien] Problem with plotting bandstructure with IRREP
Rocquefelte
xavier.rocquefelte at cnrs-imn.fr
Sun Oct 6 08:38:55 CEST 2013
Dear All,
I am doing a calculation for a symmorphic space group using the
WIEN2k_12 version.
I wanted to plot the band structure using "x irrep".
After doing all steps:
x lapw1 -p -band
x irrep -p
x spaghetti -p
I obtained the following message:
number of k-points read in case.vector= 101
here 1 C3i
here 43 C3
here 64 Ci
SPAGH END
1.629u 1.283s 0:02.93 98.9% 0+0k 0+0io 0pf+0w
Thus ... no problems!
However, I can't plot the bandstructure.
I tried to use xmgrace and here is the error message I have obtained:
[Error] No valid graph selected: VIEW 0.120000, 0.150000, 0.900000,
1.280000
[Error] No valid axis selected: XAXIS LABEL CHAR SIZE 1.5
[Error] No valid axis selected: XAXIS TICKLABEL CHAR SIZE 1.25
[Error] No valid axis selected: YAXIS LABEL CHAR SIZE 1.5
[Error] No valid axis selected: YAXIS TICKLABEL CHAR SIZE 1.25
[Error] No valid axis selected: XAXIS TICK MAJOR GRID ON
[Error] No valid axis selected: XAXIS TICK SPEC TYPE BOTH
[Error] No valid axis selected: XAXIS TICK SPEC 4
[Error] No valid axis selected: XAXIS TICK MAJOR 0, 0.00000
[Error] No valid axis selected: XAXIS TICKLABEL 0 ,"\xG"
[Error] No valid axis selected: XAXIS TICK MAJOR 1, 0.14464
[Error] No valid axis selected: XAXIS TICKLABEL 1
," "
[Error] No valid axis selected: XAXIS TICK MAJOR 2, 0.21192
[Error] No valid axis selected: XAXIS TICKLABEL 2
,"M "
[Error] No valid axis selected: XAXIS TICK MAJOR 3, 0.33427
[Error] No valid axis selected: XAXIS TICKLABEL 3 ,"\xG"
Did you ever had such problem? It seems that all is correct except the
plotting, as soon as I include IRREP.
Regards
Xavier
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