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Hello! When I use the SCPC version compiled with vasp.6.4.3 to optimize the Sn199S200 supercell, the energy suddenly drops significantly when the Self-consistent Potential Correction is ON. Subsequent…
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How can we build a supercell model to calculate the edge states? like below:
```
----------
AAAAABBBBB
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```
e.g., A is a topological non-trivial photonic cell and B is trivial, and "--…
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This repository violates Supercell's [Terms of Service](https://supercell.com/en/terms-of-service).
Violated points:
```
You agree that you will not, under any circumstances:
[...]
Use or take pa…
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Would you be open to adding some of the clouds variants like supercell, microcell and monsoon?
There's already a monsoon cheatsheet in image form available (see https://www.reddit.com/r/modular/comme…
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Dear developers,
What is the order of atoms that phonopy expects for the FORCE_CONSTANTS format?
This is relevant for atoms in the supercell in the full format, how are the coordinates of atoms in …
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PS C:\Users\Home\Downloads\platform-tools_r34.0.4-windows\platform-tools> python C:\Users\Home\Downloads\adb-ssl-unpinning-main\adb-ssl-unpinning-main\adb-ssl-unpinning.py 127.0.0.1:21503 com.supercel…
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SpinW currently allows calculations which mix both a supercell and an incommensurate k-vector. However, it is not clear whether this is valid in all (or even most) cases, and this should be investigat…
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To whom it may concern
Firstly, thank you for this designed routin in retail.
I am trying to use the program in QE for an hexagonal lattice system,
which features fractional coefficient in the su…
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Implement a more variable phase space binning.
First step:
- [x] **First:** Reduce the binning to stay under 48 KB (or to be a bit more strict 32 KB) shared memory. Relevant for change in precision o…
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Hello
I am trying to perform canonical MC calculations with A,B and Va as the components of the alloy at a certain temperature (to begin with I took 5K).
I have provided the compositions , say, "co…