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Dear Yang Zhong,
I implemented the random shift constraint similar to what you did in the MoS2 Demo (random shift within a range of 2 angstroms in the ab plane and 0.5 angstroms along the c-axis). …
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Dear Yang Zhong,
I have tried the new database, and it seems that the new dataset can improve the mean absolute error (MAE) more effectively. Therefore, I believe the problem may arise from the dis…
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Thank you very much for your work. I intended to reproduce the algorithm, but there was a serious deviation.
After cloning the code, I ran a file called `evaluate_semantic_metrics.py`. I only changed…
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Dear mVMC Developers,
I recently came across the application of mVMC in studying the WSe2 TMD (Transition Metal Dichalcogenides) system, specifically modeled as the Moire Hubbard model on a triangu…
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https://en.wikipedia.org/wiki/Transition_metal_dichalcogenide_monolayers:
MoS2, MoSe2, MoTe2
WS2, WSe2, WTe3,
HfS2
In other words, M = Mo, W, Ti, Nb (Hf) X = S, Se, Te
Make sure to include …
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Reported by @muralidhar-nalabothula :
https://www.yambo-code.eu/forum/viewtopic.php?p=12955#p12955
> The sigma_y matrix defined in "yambo/src/modules/mod_D_lattice.F" is not correct.
> As Fort…
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```
[kna@badang ai4material_design]$ . /home/kna/.cache/pypoetry/virtualenvs/2d-defects-potential-learning-pYjw2mkT-py3.10/bin/activate
(2d-defects-potential-learning-pYjw2mkT-py3.10) [kna@badang ai…
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### Application Crash
#### System
| | |
|------------ | -------------|
|Platform | win32 10.0.19043 |
|Architecture | x64 |
|Application Version | 1.5.13 |
|Process | renderer |
#### Message
Archive …
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### Application Crash
#### System
| | |
|------------ | -------------|
|Platform | win32 10.0.19044 |
|Architecture | x64 |
|Application Version | 1.5.13 |
|Process | renderer |
#### Message
Archive …
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I'm triying to perform the spin dependent calculation of WSe2. I use gpaw-tools 21.12.0 and the recent one 22.3.0. nothing changed. The program ended prematurely. However, when I'm using gpaw 21.6.0 i…