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Following instructions in section 3.4, the calculation submitted to the daemon remains in state *Created* with the following daemon log output:
```
$ verdi daemon logshow
10/07/2019 12:17:43 PM …
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I am trying to do a Chern number calculation using VASP. I have tested my build of the modified VASP+W90 by following the tutorials (Bi, WTe2, and Bi2Se3 all produce the expected result). Here is the …
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just wanted to use this opportunity to alert plugin developers that we're planning a new Quantum Mobile release for the first week of March (which will be used in a Wannier90 tutorial).
New plugin …
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Hello shankar1729,
I tried to run some jDFTx calculation for a lithium metal surface. However, I observed a huge memory consumption for this calculation on the cluster. Attached you can find an exa…
shk11 updated
4 years ago
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Is it possible to simulate DNN workloads with the dev branch? Has anyone tried that?
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aiida-core version: 1.1.1
1. When I set `metadata.options.resources` without `num_machines`, it raises "aiida.common.exceptions.InputValidationError: the `resources` input has to at least include `…
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@broeder-j We're including a couple of pseudopotentials for Quantum Espresso in Quantum Mobile (since they don't ship with the code).
How is it for fleur, are a set of standard PPs already included?
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Once aiida-quantumespresso can deal with it
Note: will need to adapt
* QE configure https://github.com/marvel-nccr/quantum-mobile/blob/9eb51d3b0c6f8c37539d2346bd5be5c9dfe1bbb7/roles/quantum-espres…
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Hi @jtkrogel , is there an example/guide of Nexus workflow for hybrids as the QE NSCF step isn't possible? Specifically, is the tiling of the wavefunction supported?