[xcrysden] Error with xcrysden for crystal03
tone.kokalj at ijs.si
Wed Sep 19 13:33:28 CEST 2007
On Thu, 2007-09-13 at 16:57 -0500, Oscar U. Ojeda wrote:
> Im trying to run xcrysde as gui for crystal03. When I try to visualize a structure either generated by xcrysden or a previously created input file, i get the following message:
> ERROR while executing
> /(PATH)/xcrysden/XCrySDen-1.4.1bin-static/bin/gengeom 0 11 1 1 1 1
> The ERROR INFO is as follows:
> invalid integer: read unexpected character
> apparent state: unit 34 named fort.34
> last format: list io
> lately reading sequential formatted external IO
To check what is going on, please send me the input and fort.34 files.
You will find the latter in the XCRYSDEN_SCRATCH/xc_???? directory;
copy it before exiting, because the directory will be deleted on exit.
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