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### 问题类型 / Type of issues
* 其它 / other
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这是继 #2364 之后的又一次大扫除。请各位按列表检查自己名下的包,如果有意继续维护就勾选掉,如果不想管了、不记得了、好像没什么用了之类的,就留在那里。一个月之后还没有被勾选的包,我会发起 orphaning 流程。记得可以直接编辑留言,而不必用鼠标逐个点击。
包名后边的数字,前一个是…
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Example: https://mila.quebec/en/publications/
It would be nice to reuse the same code as in the Mila website. Not sure if that's 'easily' possible via RTD
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C. D. Dashwood, A. Geondzhian, J. G. Vale, A. C. Pakpour-Tabrizi, C. A. Howard, Q. Faure, L. S. I. Veiga, D. Meyers, S. G. Chiuzbaian, A. Nicolaou, N. Jaouen, R. B. Jackman, A. Nag, M. Garcia-Fernande…
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Dear Shankar,
I tried to calculate electron-electron scattering. But it takes a long time. The following picture is the result of continuous calculation for 24 hours. Is there any way to impro…
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Carsten could provide datasets which have DOIs in it and these should be available also in the LDM instance.
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In `StaticSetGenerator` and `TightRelaxSetGenerator`, the ALGO flag is updated to "Normal". Unless there is a strong reason to keep it at "Normal", my personal suggestion would be to not specify ALGO …
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**Describe the bug**
Given the attached OUTCAR, I get
```
~/software/miniconda/envs/cms2/lib/python3.8/site-packages/atomate2/vasp/schemas/calculation.py in from_outcar(cls, outcar)
208 …
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Hoyoung Jang, Hiroki Ueda, Hyeong-Do Kim, Minseok Kim, Kwang Woo Shin, Kee Hoon Kim, Sang-Youn Park, Hee Jun Shin, Pavel Borisov, Matthew J. Rosseinsky, Dogeun Jang, Hyeongi Choi, Intae Eom, Urs Staub…
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Understand how frequently we may end up with a calculation where the coupling (electron-phonon, or phonon-phonon matrices in real-space) cannot be stored in the memory of a single-node or a single GPU…
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**Describe what you want to accomplish with TS+TBT+sisl**
I would like to compute the change of **phonon-limited carrier mobility with temperature** for silicon (or any simple materials, 2D semicon…