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Hi,
I am getting the following error after following the instructions as suggested by you. Pl help
make[2]: Entering directory '/home/simulations/vasp.5.4.4.pl2/build/std'
m…
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Hi,
I have been working on setting up Atomate2 for my VASP calculations, and I encountered an issue related to the VASP_VDW_KERNEL_DIR variable. I followed the instructions provided in the Atomate2…
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### Email (Optional)
_No response_
### Version
v0.3.8
### Which OS(es) are you using?
- [ ] MacOS
- [ ] Windows
- [X] Linux
### What happened?
I am trying to json data and get the structures, e…
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### Steps to reproduce the issue
```console
$ spack -d install -v -j 16 vasp@6.3.0 +scalapack +openmp %aocc@3.1.0 target=zen3 ^amdfftw@3.1 ^amdblis@3.1 threads=openmp ^amdlibflame@3.1 ^amdscalapack@…
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Hello, when I use NMC and MP, I get RuntimeError: The number of scaling factors must be 1 or 3.
Please tell me how should I solve this problem,thanks
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I run the following code (from the README example with Si in VASP):
bands = banduppy.BandStructure(code="vasp", spinor=False,
fPOS = f"{read_dir}/POSCAR",
…
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Hello,
I tried to run the package with VASP. When I ran the code, the following error occurs. How to fix this. I ran self consistent calculation and included wannier tags in INCAR and then re-ran …
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Dear developers,
I started using the Wannier Berri code to compute AHC for one system, and the results were different when using the Wannier90 and Wberri codes. I am not sure but I think the issue is…
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Hello, developers,I'm using workflow and I'm having problems with some of the units.
When using the generic calculation method (wfl.calculators.generic calculate) in the workflow with the ASE calcula…
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Can these code support the VASP input?