[xcrysden] Cannot show multiple frame in out file
Yuelin Li
ylli at aps.anl.gov
Wed Mar 9 19:08:12 CET 2011
was able to get xcrysden running - beautiful implementation!
I do have a problem using it when look at out put with multiple atom positions. It looks like xcryden only sees the first frame not the others. If I force it, e.g., on the latest frame, the display is blank, xterm says.
PWSCF version of the output: 4.3a
TEXT-WIDGET: .a1.f1.t
pwOutputPresetWhat: /home/ylli/XCrySDen-1.4.1s/scripts/pwo2xsf.sh --latestcoor /home/ylli/Documents/temp/acetylene.out
Executing: sh /home/ylli/XCrySDen-1.4.1s/scripts/pwo2xsf.sh --latestcoor /home/ylli/Documents/temp/acetylene.out > pwo2xsf.xsf
Executing: sh /home/ylli/XCrySDen-1.4.1s/scripts/dummy.sh /home/ylli/Documents/temp/acetylene.out
Number of Atoms: 0
Number of Frames: 0
Estimated number of bonds = 0
sInfo(dim) = 0; periodic(dim) = 0
Attached is the in file directly from the tutorial pw examples.
Please help. Thanks.
Best,
Yuelin
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