-
Hello there.
I'm trying to run ascii-phonons 1.0 on the following scenario:
OS = centos 6.5 x86_64
CC = gcc 5.3.0
Python = 3.5.5
Numpy = 1.14.2
Requests = 2.18.4
Blender = 2.79b compiled with…
-
Qt5 versions of CMake variables are not tested.
-
Hello there,
I've been checking out your plugin, and I must say it caught my attention. I would like to implement it into my Minecraft server, which will be opening in the near future. A colleague …
-
Dear Developer(s),
I would like to ask if this package can also do electron and phonon transport calculations for 2D materials.
Thank you.
-
https://github.com/sns-chops/multiphonon/blob/3b4ea977ffa659d6f1f705e233a640db63f26e6c/multiphonon/ms.py#L11
-
Dear @atztogo ,
I am using the gruneisen api to compute gruneisen mesh (20, 20, 20) for Si structure. I have the phonopy.yaml stored from the phonon runs for the ground, shrunk and expanded struct…
-
```
What steps will reproduce the problem?
1. Скачать с главной страницы инсталятор.
2. запустить его
3.
What is the expected output? What do you see instead?
Три проблемы:
1. В процессе установки вы…
-
'twould be nice to have the ability to incorporate the `--project` function into `sumo-phonon-bandplot` to see which atom types contribute to which modes.
Having had a brief discussion with A.J.J …
-
- implementation of self-consistent procedure to solve Sternheimer Equation
- efficient integral evaluation
- modular use of different external potentials
- derivative of self-consistent KS potenti…
-
I've hit another "fun" problem with LO-TO splitting in DOS calculations!
While we do suggest that the Gamma point is avoided for DOS calculations, it is quite likely to be included as part of some …