[xcrysden] XCrysDen - for opening fort.9 files (crystal09)
Gavin Abo
gsabo at crimson.ua.edu
Mon Nov 17 18:59:20 CET 2014
Did you define the Crystal program in the ~/.xcrysden/custom-definitions
file [1]?
[1] http://www.xcrysden.org/doc/custom.html#__toc__1
On 11/17/2014 8:10 AM, Sanda B wrote:
> Dear all,
>
> I have compiled and installed the new version of XCrysDen (1.5.60).
> My goal is to use XCrysDen to open fort.9 files (generated with
> Crystal09) and select a kpath that I can later use for band structure
> calculations.
> The problem that I am facing is the following:
> - I open XCrysDen, (File-Open Crystal) and the Open Crystal option is
> not available.
> What can I do?
> My only available options are Open Structure, Open PWscf, Open
> WIEN2k.Anyone else out there with the same issue? Do you create a
> structure file from the last optimized geometry and open it as a
> structure file?
>
> Any help will be appreciated.
>
> Thank you.
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