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Would you consider adding a [CITATION.cff](https://docs.github.com/en/repositories/managing-your-repositorys-settings-and-features/customizing-your-repository/about-citation-files) file to your reposi…
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All restart functionality is broken for old jobs (not sure how to allow others to reproduce this)
error: rror saving warn (key /Ni111_Mo_surface_sub1_cov/input/vasp_dict/eddrmm_handling): h5io_bro…
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Dear CP2K developers and users,
When the Fermi-Dirac smearing is invoked in CP2K, are analytical gradients the derivatives of E or F? A screenshot of the VASP wiki is shown as follows
![VASP_wik…
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Thanks for providing these additions to the community. We want to compile VASPsol with VASP 6.3 and noticed that the patches need to be updated. @shk11 I noticed you produced patches for 6.1 and 6.2. …
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### Feature Requested
VASP has implemented support for [dftd4](https://github.com/dftd4/dftd4#building-vasp-with-support-for-d4), as stated on [VASP wiki](https://www.vasp.at/wiki/index.php/DFT-D4)…
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Hello!
I read the manual of emc and run the python code for GaAs calculation(based on vasp), and I got two questions.
1. when I set the step size to 0.01 for heavy hole calculation, I got 0.344 whic…
YXSui updated
7 years ago
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### Problem
@prathami11 has reported a new VASP error:
```
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| …
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Dear banduppy staff
First of all, thank you for the software.
However, I have a question, if it is trivial or if there is already an answer, I apologise but I could not find a solution.
I would lik…
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I was surprised to see VASP's structure file format not listed in the supported formats. The format is notoriously underspecified but the official reference can be found [here](https://cms.mpi.univie.…
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I have downloaded WxDragon to visualize vibrations computed with VASP, but, when I try to open an OUTCAR file (either an OUTCAR resulting from a geometry optimization or from a frequency calculation),…