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Same problem as https://github.com/KVSlab/VaSP/issues/157
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Maybe it would be more clear and more understandable if there are more comments in the source code, especially files in the vasp_parser directory.
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### Describe the Code Quality Issue
We provide four amorphous structures, Ge10_Bi2_Si59_O143, which use vasp and abacus to relax, and then perform dos calculation after convergence. The results show …
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Trying to run 'casm import -s import_settings.json -b vasp_properties.txt' in v1.2.0 for data from v0.3 is not working. It only generates a structure.json but doesn't copy the properties.calc.json/rel…
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Hi there, I was recently learning how to use CASM with QE as the calculator. I followed the help message from `casm status -n`, and set up 'relax.json', 'SPECIES', and 'filename.in' files under the re…
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I discovered this in my repos and found it in yours too, which isn't surprising because I've basically copied your docs building process... :)
When Sphinx builds your docs, it makes a cache file na…
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Hello,
I'm trying to use pyprocar to plot the spin texture from a VASP calculation, but I'm finding conflicting documentation online. Here's how I'm calling the fermi2d function:
`pyprocar.fermi2D…
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When I use vise to generate the calculation file, the following information is prompted：
**You do not have the right POTCAR with functional pbe 54 and label ga d in your VASP_PSP_DIR**
Does the …
pfwan updated
3 years ago
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Hi, guys
Here are some issues reported which I try to run the example (VASP version).
**_Input files_**: all the example file you supplied except
[solver]
type = 'vasp'
path = '/usr/bin/vasp…