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yambo-code / yambopy

Python scripts to manage and postprocess quantum espresso and yambo calculation.
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Class. Plot screened interaction in real space #9

Open alexmoratalla opened 4 years ago

alexmoratalla commented 4 years ago

Proposal to develop a function to: read screening, make FFT and plot screening in real space

palful commented 1 year ago

After the latest updated on em1sdb.py, we can now compute W_GG'(q) in reciprocal space so the first step "read screening" is basically done.

We need to implement the FFT and a class to produce .xsf files.

rreho commented 1 year ago

Hi, in my forked branch I created a branch called 'devel-xsf' and started to write a class that reads and write xsf files. In my forked branch, I opened an issue with the tasks that have been done and a 'to-do' list. I will keep developing it also for my own research projects, but advice and comments are welcome!