[xcrysden] Error in visualizing WIEN2k struct file

[Gavin Abo]

The standard user account installed str2xcr file permissions are 
something like:

username at computername:~$ ls -l ~/xcrysden-1.5.60-bin-semishared/bin/str2xcr
-rwxr-xr-x 1 username username 252996 Jun 25  2014 
/home/username/xcrysden-1.5.60-bin-semishared/bin/str2xcr

One way to reproduce this error should be to remove the str2xcr 
executable permissions followed by opening the struct file:

username at computername:~$ chmod -x 
~/xcrysden-1.5.60-bin-semishared/bin/str2xcr
username at computername:~$ ls -l ~/xcrysden-1.5.60-bin-semishared/bin/str2xcr
-rw-r--r-- 1 username username 252996 Jun 25  2014 
/home/username/xcrysden-1.5.60-bin-semishared/bin/str2xcr
username at computername:~$ xcrysden --wien_struct 
~/xcrysden-1.5.60-bin-semishared/examples/WIEN_struct_files/gaas.struct

One solution could be to restore or set the str2xcr file executable 
permissions [1] (or group file permissions [2]):

username at computername:~$ chmod 755 
~/xcrysden-1.5.60-bin-semishared/bin/str2xcr
username at computername:~$ ls -l ~/xcrysden-1.5.60-bin-semishared/bin/str2xcr
-rwxr-xr-x 1 username username 252996 Jun 25  2014 
/home/username/xcrysden-1.5.60-bin-semishared/bin/str2xcr

We were able to resolve this off the mailing list.  My understanding is 
that they installed XCrySDen as root and were trying to use XCrySDen in 
a user account were they didn't have executable permission for str2xcr.

It took us a bit to figure this out because I usually install XCrySDen 
[3] in the user account (and not as root).

[1] https://en.wikipedia.org/wiki/Chmod#Numerical_permissions
[2] https://en.wikipedia.org/wiki/Chgrp
[3] http://www.democritos.it/pipermail/xcrysden/2017-December/001902.html


On 8/28/2019 11:28 AM, Matic wrote:
> Hello Wing Chi,
>>
>> I have some troubles in visualizing the WIEN2k case.struct file in 
>> Xcrysden. When opening a wien2k structure file in Xcrysden, I got a 
>> message about getting an error while executing the str2xrc program. I 
>> have tried version 1.5.60 and version 1.5.25 and got the same error.
>>
> Could you paste the specific error message here and perhaps attach the 
> structure file that causes problems for you, to see if the issue can 
> be reproduced. Without knowing the specifics it is difficult to say 
> what went wrong,
>
> Best Regards,,
>
> Matic
>
> --
> Matic Poberznik
> J. Stefan Institute, Jamova 39, Ljubljana, Slovenia
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