Sir,
I'm registered user of Wien2k since 2023, I want to update to latest
version. Please guide me how can I update it to latest version without
losing my settings configuration and more precious my calculated data. And
please do let me know how can I use this wien2k package on HPC.
Thank you
Rak
Simply download the newest version in a new "WIENROOT" directory, follow
the instructions and use the "update" option for siteconfig, which takes
all your settings from the previous installation.
After installation, just change the WIENROOT variable in .bashrc
(.cshrc) to the new path.
Your ca
1. Use Telnes
2. Use Telnes as this has the relativistic corrections in it and optic does
not. However, for reasonably accurate results you will have to use some
form of core hole.
3. If you have multiple types of atoms then you calculate for each and sum.
However, the experiments probably have bac
Dear Laurence and Gerhard,
Thank you for your valuable feedback. It means a lot to me.
I have one follow-up question. It would be great if you could kindly help me
with this as well.
I have a group of Xe atoms (5-6 Xe atoms) and we have two experimental
different EELS data (core loss) observat
Most of your questions are answered in the sources you read; you need to
find (experiment) which matches the results. This is not really something
where we can give you an answer beyond try.
I suspect you mean something different with "charged". To get +ve Xe it has
to be bonded to something like
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