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Looking through parts of the code, and documentation I did not notice a way to implement a given atom with a charge (e.g Fe^+2). If I missed how to do this in the docs or code I apologize!
I know i…
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### Summary
Dear Developers,
I wonder if you have plan to implement GPAW?
### Detailed Description
Thanks
### Further Information, Files, and Links
_No response_
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## Issues to be fixed
### Clone workflow
> - [x] Fixed?
> - [x] Review#1
> - [x] Review#2
Clone workflow option earlier would return an error, which has been fixed.
### Missing __init__.…
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I encountered this warning during autoneb calculation with command: mpirun -n 2 gpaw python autoneb_run.py.
I found this warning will always occur when n_images > 1 in every relaxation calculation if…
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Hi, I tried to run an neb calculation with abacus with the command mpirun -np gpaw -np 5 python neb_run.py but I get the error
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mpirun doe…
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Power9 strikes again: Using some functions from pthread (e.g. `pthread_atfork`) requires linking of `lpthread`. E.g. https://github.com/scipy/scipy/issues/11323 came up.
I traced the problem to Eas…
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- [x] I am on the [latest](https://github.com/python-poetry/poetry/releases/latest) Poetry version.
- [x] I have searched the [issues](https://github.com/python-poetry/poetry/issues) of this re…
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Horst seems to have issues getting QCrBox container to build on Windows 11. Try on a separate machine whether that problem is reproducible
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When it's ready, add an entry to link to directions for installing GPAW at https://wiki.fysik.dtu.dk/gpaw/platforms/platforms.html#platforms-and-architectures.
RE: INC0209471