The word document I made currently available (click Download button or
View raw link) on the webpage at:
https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k21.1_Ubuntu22.04_Install_with_gfortran.docx
The steps of that document use the default NUME and NMATMAX values. You
may of course increase those values for utilizing more of your system
RAM for WIEN2k calculations when you have larger structures that need it
following the WIEN2k 21.1 userguide [
http://www.wien2k.at/reg_user/textbooks/usersguide.pdf ] (refer to
section 11.2.2 Site configuration for WIEN2k on page 248) or by
referring to past mailing list posts such as those at the following
three links:
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13288.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16704.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08136.html
Best Regards,
Gavin
WIEN2k user
On 7/26/2022 4:57 AM, Victor Zenou wrote:
Dear Gavin
Thanks a lot. I already started installing WIEN2k 21.1 using your
"WIEN2k 21.1 Install with gfortran.pdf". Can you upload the same as a
word document?
Right now I'm using 32 GB of RAM, and later going to add more 32 GB .
Does that addition require any update in the Wien2k installation?
Best Regards, Victor
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