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Chandan Kumar, John Birkbeck, Joseph A. Sulpizio, David J. Perello, Takashi Taniguchi, Kenji Watanabe, Oren Reuven, Thomas Scaffidi, Ady Stern, Andre K. Geim, Shahal Ilani
> Electrical resistance u…
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Dear developers,
I am new to abipy and try to use this tool to do high-throughput computation. I have downloaded a lot cif files from ICSD to prepare the input files for abinit. In the beginning, I…
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I'd like to use this as a drop-in for `wick` and just wanted to check a couple of things. Your paper states that
> Similarly, it would be desirable to expand WICK&D to mixed fermionic/bosonic fiel…
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Hello,
I am trying to use abTEM to calculate a STEM image of a sample and have encountered some issues. I obtained the atomic positions of a sample using the AET method. In the usual workflow, afte…
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Hi,
After femtosecond laser excitation of metals is it assumed that the electronic thermal conductivity (k_el) varies in the way:
k_el = k_0*(Te/Ti),
where k_0 - is the initial electronic thermal…
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Dear contributors,
We are thrilled to share the commencement of the Atomate2 paper's preparation phase. Our goal is to have the initial draft ready by our upcoming monthly gathering on **March 29**…
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Here are the discussion topics suggested for this year's workshop. We will cycle through them throughout the week:
- Trajectories
- Collections + providing data for training ML potentials
- Prope…
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* [Link](https://arxiv.org/pdf/1708.03661.pdf)
* Title: Revisiting the Hybrid Quantum Monte Carlo Method for Hubbard and
Electron-Phonon Models.
* Keywords (optional):
* Authors (optional): …
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Hi Jacob. and Toma,
I'm trying to consider thermal diffuse scattering with abTEM. I noticed in the example you offered, the sigma value is chosen to be 0.1 (https://abtem.github.io/doc/user_guide/w…
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Hello,
I am unable to build VASP 6.2.0 with VASPSol and GPU support. Everything seems to compile successfully, but at the linking stage I get this error:
mpif90 -mkl=sequential -lstdc++ -o vas…