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Hello,
I'm currently studying electron-phonon coupling in highly nonequilibrium regime, when $T_e >> T_a$. I calculate electron-energy-dependent Eliashberg function in a quite broad window an order…
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**Submitting author:** @matthewcarbone (Matthew Carbone)
**Repository:** https://github.com/AI-multimodal/Lightshow
**Branch with paper.md** (empty if default branch): joss-manuscript
**Version:** v0.…
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### What is the expected enhancement?
Hi, Currently most of the Qiskit nature tutorials are based on molecules and not on periodic solids to the best of my knowledge. I think this is primarily becaus…
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Dear Phoebe Team,
I successfully performed the calculations of step 1 (scf calculation) of tutorial-2 in phoebe (silicon). While I encountered a issue for the step-2 of phonon calculations. The pr…
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**Summary**
I am trying to simulate a simple system of polymers interacting via the Gaussian (`pair_style gauss`) and harmonic bond (`bond_style harmonic`) potentials. When I run LAMMPS using CPU o…
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In https://github.com/aiidateam/aiida-quantumespresso/pull/805 we simplified the handling of copying files from `parent_folder` directories, now that `aiida-core=2.0.0` supports recursively copying co…
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**Summary**
In order to complete the refactoring of the citation reminder we need to update all citation reminders to include a brief 1-line reference in the first line of the added string. By pref…
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when I use `python setup.py install` to install CellConstructor, I met such an error below:
gfortran: error：build/temp.linux-x86_64-3.9/build/src.linux-x86_64-3.9/build/src.linux-x86_64-3.9/fortran…
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## System
* Abinit version = 9.4.1
* OS version and architecture = Ubuntu 20.04, x86-64
* Fortran compiler = gnu
* MPI implementation (if any) = openmpi-3
* Extra libraries activated …
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### Bug summary
Hi，
I have installed the Deeomd-kit package from the **deepmd-kit-2.1.3-cpu-Linux-x86_64.sh**. I also trained a model. But when I run lammps, I encounter one problem:
**ERROR: Un…