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> You do not need to put in anything here :)
> Just open the issue by clicking the green "Submit new issue"; within 10-15s, a message instructing you how to upload your files should appear!
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Some kind of weird error when I try to submit vasp to the queue
```python
from pymatgen.io.vasp.inputs import Incar
from ase.build import bulk
from pymatgen.io.ase import AseAtomsAdaptor
#from …
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For developer,
Using the vasp code, I tried to analyze 2d fermi surface (001 plane).
But, pyprocar result is weird.
For the same vasprun.xml, I utilized other tool and result is appropriate. (fig…
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Dear Dr. Liu,
I hope this message finds you well. I recently read your articles on constant potential simulations and those by other researchers. I am currently planning to conduct a first-principl…
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First of all, thank you for this incredible library!
### Python version
Python 3.12.7
### Pymatgen version
2024.11.13
### Operating system version
Pop!_OS 22.04 LTS
### Current be…
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**Describe the bug**
When using the EOS workflows, I noticed the following code snippets. Based on the class names and their docstrings, I assume these classes are intended to generate input files …
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### Description
When running the script `convert_chgcar_dir_to_pkl_dir.py`, I encounter a `FileNotFoundError`. The error occurs because the script tries to access a `.npy` file that does not exist …
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I'm trying to calc…
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Dear pangchg,
We recently installed VASP 6.3.2 along with the VASPsol++ and CP-VASP version 2 patches. After applying the patches, the main.F and reader.F files in the src/ directory were updated a…
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Hi,
I am wondering if a GPU version of VASP can be compiled and if compilation instructions can be provided. I have tried to compile it using the existing nvompi/2022.7 module, but one of the main …