[Wien] Setting RMT
delamora
delamora at unam.mx
Fri Nov 7 02:36:15 CET 2025
Dear WIEN2k community,
I have Fedora 42 and I installed intel oneAPI 2025.2.1
And compiled the WIEN2k 24.1 and it works almost right, but I have problems;
After edditing the case.struct file with StructGen I push "save", then I get the option of setting the RMT with;
set automatically RMT and continue editing<http://localhost:7890/util/structrmt.pl?SID=899042>
but the RMT remains the same "RMT=2.000" => 2.000
so it does not find the correct RMT
Another problem;
When I open xcrysden in the terminal and I try to
"Open WIEN2k Struct file"
and I point to "case.struct" file it opens the crystal structure, but if I point to another file, like "case.in0" or any other, it does not display the crystal structure and I get the message
Error: error renaming "case.in0": no such file or di...
Saludos
Pablo
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20251107/2879c71d/attachment.htm>
More information about the Wien
mailing list