-
-
Would it be possible to calculate exciton-phonon coupling in pyscf?
-
- [ ] Introduction refers to castep.org for tutorials
- [ ] Integration of the bibliographies
- [ ] Add external tools to the tools page (e.g. PDielec)
- [ ] Add subsection electron-phonon coupling…
-
Hi,
I would like to notice that in addition to the dependence of electron thermal conductivity on the temperatures of electrons and lattice, there also dependences of electron-phonon coupling (g) a…
-
Write an interface to use in phoebe the electron-phonon coupling computed by VASP.
-
Dear developers,
I am reaching out to report an issue encountered while using the QERaman package. Specifically, when attempting to execute the ph_mat.x and raman.x executables with Quantum Espress…
-
Takuro Tokunaga, Masao Arai, Kazuaki Kobayashi, Wataru Hayami, Shigeru Suehara, Takuma Shiga, Keunhan Park, Mathieu Francoeur
> Phonon transport across a vacuum gap separating intrinsic silicon cry…
-
The current version of Pymatgen (2022.0.14) does not recognize XANES output from VASP 6.
**Proposed Solution:** Enable Pymatgen to read VASP 6 XANES output from either the `vasprun.xml` file or th…
-
- implementation of self-consistent procedure to solve Sternheimer Equation
- efficient integral evaluation
- modular use of different external potentials
- derivative of self-consistent KS potenti…
-
Dear Developer(s),
I would like to ask if this package can also do electron and phonon transport calculations for 2D materials.
Thank you.