[Wien] set automatically RMT and continue editing

[delamora]

Dear Gavin,
Thank you, as I commented in an earlier message, it was that the "Math::Trig" package was missing
________________________________
Hello Pablo,


I have ran the TiC example on Fedora 42 in WIEN2k 24.1.  In step 19 for [1], I had my RMTs for Ti and C initially set to 2.0000.  In step 22, I used "Reduce RMTS by 3 %".  In step 23, you should see it worked and actualized the RMT 2.17 for Ti and 1.77 for C.  Is it the TiC example you experienced this issue with?


Of note, when I installed the Intel OneAPI, it installed a newer version 2025.3.0 instead of 2025.2.1.  The install steps I used should it help other Fedora users should be at [2].


Though, I do I see that the Fedora website [3] has Fedora 43. Is there any reasons why you are using Fedora 42 instead of 43?


The Al.in0 doesn't appear to be a struct file as it doesn't have the .struct file extension (i.e., Al.struct).  I was able to open more than one struct file (TiC.struct and gaas.struct) when running XCrySDen 1.6.2 from a terminal just fine as you should see at [4].


[1] https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k24.1%20TiC%20Example(Fedora-ifx).pdf

[2] https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k24.1_Fedora_Install_with_OneAPI(ifx2025.3.0).pdf

[3] https://www.fedoraproject.org/workstation/download

[4] https://github.com/gsabo/xcrysden-Patches/blob/main/fedora42-multiple-struct-files.png


Kind Regards,

Gavin

WIEN2k user


On 11/5/2025 11:51 AM, delamora wrote:
Dear WIEN2k community,
I have Fedora 42 and I installed the WIEN2k 24.1 and intel Oneapi 2025.2.1
When I try to
set automatically RMT and continue editing<http://localhost:7890/util/structrmt.pl?SID=899042>
it does not work, it does not actualize the RMT in the struct file

When I open xcrysden in the terminal and I try to
"Open WIEN2k Struct file"
and I point to "Al.struct" file it opens the figure, but if I point to another one, like "Al.in0" I get the message
Error:error renaming "Al.in0": no such file or di...

Saludos

Pablo
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