Thank you Dr. Lee.
Would anybody like to share a script to achieve this functionality?
Thanks.
Search found 7 matches
- Tue Jan 26, 2021 12:11 pm
- Forum: General discussion
- Topic: phonon dispersion projected on each atom
- Replies: 3
- Views: 14138
- Tue Jan 26, 2021 2:25 am
- Forum: General discussion
- Topic: phonon dispersion projected on each atom
- Replies: 3
- Views: 14138
phonon dispersion projected on each atom
Dear Sir,
How to obtain the phonon dispersion weight of each atom by QE 6.6, to plot the phonon band projections on each atom?
Thanks.
Yipeng
HTU
How to obtain the phonon dispersion weight of each atom by QE 6.6, to plot the phonon band projections on each atom?
Thanks.
Yipeng
HTU
- Sun Nov 01, 2020 7:52 am
- Forum: General discussion
- Topic: integrated electron-phonon coupling strength λ
- Replies: 2
- Views: 2262
Re: integrated electron-phonon coupling strength λ
Thank you, Dr. Paudyal.
The development-version works now.
Thanks again. I am new user of QE and EPW.
anyipeng
The development-version works now.
Thanks again. I am new user of QE and EPW.
anyipeng
- Sat Oct 31, 2020 2:31 pm
- Forum: General discussion
- Topic: integrated electron-phonon coupling strength λ
- Replies: 2
- Views: 2262
integrated electron-phonon coupling strength λ
Dear Sir,
As follwing the example of MgB2 (https://docs.epw-code.org/doc/MgB2.html) by QE 6.6, how to obtain the data of integrated electron-phonon coupling strength λ to plot the Fig. 2?
Thanks.
As follwing the example of MgB2 (https://docs.epw-code.org/doc/MgB2.html) by QE 6.6, how to obtain the data of integrated electron-phonon coupling strength λ to plot the Fig. 2?
Thanks.
- Fri Oct 30, 2020 12:21 am
- Forum: General discussion
- Topic: kpoint more than 10000
- Replies: 4
- Views: 3674
Re: kpoint more than 10000
Thank you so much, Lee. Great Job.
- Thu Oct 29, 2020 12:05 pm
- Forum: General discussion
- Topic: kpoint more than 10000
- Replies: 4
- Views: 3674
Re: kpoint more than 10000
Thank you Roxana. The XXX.eig file is right now for the 24x24x24 kmesh. However, it produces another error after performing "wannier90.x w90", as follows, Starting a new Wannier90 calculation ... Reading overlaps from w90.mmn : Created on 29Oct2020 at 16:55:23 Error reading w90.mmn: 5***** -1 0 0 0 ...
- Wed Oct 28, 2020 1:04 am
- Forum: General discussion
- Topic: kpoint more than 10000
- Replies: 4
- Views: 3674
kpoint more than 10000
Dear Sir, For the calculation of QE+W90 with a kpoint mesh more than 10000 (such as 24x24x24), the first two columns of the XXx.eig file obtained after the calculation of "pw2wannier90.x < pw2wan.in > pw2wan.out" become one column, such as, 13 9999 19.817883726254 14 9999 22.630310625533 15 9999 23....