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## Is your feature request related to a problem? ##
I am doing molecular dynamics simulations in VASP and would like to use MDAnalysis to analyze the trajectories.
## Describe the solution y…
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From the specification:
> - `assemblies`: this flag MUST be present if the property `assemblies` is present.
> - `disorder`: this flag MUST be present if any one entry in the `species` list has a …
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Hello,
I am trying to run Spin texture as recommended in the tutorial. I've prepared the files with the same structure as the tutorial, however when you run the "projwfc.x" you mentioned that is ne…
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We should enable pre-commit checks and clean the code accordingly.
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**Summary**
Accelerate fp calculation by splitting it into two steps
**Detailed Description**
fp calculations in dpgen usually consumes most resources during the whole training process. Dpg…
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I'd like to load volume files of the nrrd format. Can I do this directly with inviwo?
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**Summary**
I conduct some DFT calculations via VASP on pyiron environment.
I didn't use remote submit, I just accessed our HPC cluster and conducted DFT calculations.
But pyiron cannot catch job…
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Hi Phonopy,
I am using VASP and Phonopy to calculate an interface system, but I found the number of negative phonon modes with more than 300. That doesn't make sense at all. The system is terrylene…
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Hi, when I use sumo to plot the projected DOS over elements and orbitals, I notice that the height of the projected DOS for each component does not sum up to the total DOS.
is this a known phenomeno…
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You do not need to put in anything here :)
Just open the issue by clicing the green "Submit new issue" and within 10-15s a message instructing you do upload your files should appear!