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DropD wrote a script that reads the git tags to automatically update plugin version numbers in the respective places
https://github.com/DropD/aiida-vasp/blob/f853735e23755254a29411c240c726c38a9f3db…
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Hello AiiDA team!
Running the following basic code (taken from the tutorial) results in a crash.
```
get_ipython().magic(u'aiida')
import aiida
from aiida.orm import Code, DataFactory
# lo…
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Reported by: jtkrogel
Current (BFD) pseudopotentials were included using files converted from 2011 (perhaps as early as 2009). These converted PPs are untested.
I recently tried the C UPF PP from t…
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Hi,
I was doing some test calculations for Si bulk and was a little bit surprised about the lattice parameter I obtained using internal lattice optimization as well as Birch-Murnaghan-equation.
I …
ghost updated
6 years ago
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Questo issue è dedicato ala versione tecnica (vt) del vademecum, più precisamente per dialogare sulle sezioni da integrare
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Currently we have a patch for QE5.3 to produce the pw2qmcpack executable. This works well but newer QE versions are improved, particularly in the area of exact exchange and threading for memory usage.…
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Would it be possible to get sample input files for Quantum Espresso and FHI-AIMS? The code's tutorial gives sample input files for VASP, but I'm planning on running it with a different code (CP2K, act…
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I am trying to read Quantum Espresso code (http://qe-forge.org/gf/download/frsrelease/247/1132/qe-6.2.1.tar.gz) but no outline available.
The console tab in `opt+cmd+i` gives a lot of following erro…
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We imagine the following use case, that I think will become very common, using `Quantum ESPRESSO` as an example.
The base repository `aiida-quantumespresso` is public and free to use and contains a…
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We are trying with Nicola Spallanzani to load an external scheduler plugin with the new plugin mechanism.
More precisely, if the scheduler plugin is placed at the scheduler plugin folder (aiida/sch…