EPW Forum

Hi Osama, This can be done through pw.x (for a scf calculation) with the following modifications in the input (test.in). (1) verbosity = 'high' (2) K_POINTS crystal_b 3 0.5000 0.500 0.500 50 0.0000 0.000 0.000 50 0.0000 0.500 0.500 1 (3) run your test.in, pw.x <test.in after when the k-points are pr...

Hi osama jalil,

It would be easy to go through your problem if you provide more information about your system (like scf.in, nscf.in, and epw.out where it crashed).

Best,
Hari Paudyal

Hi Mikhail,

I think this is well explained during the hands on session and tutorial of the EPW school, you can find the plot on second last page of
http://epw.org.uk/School2018/School2018 ... argine.pdf

Best,
Hari Paudyal

Hi mahdi109, In your epw input, you have defined(including) 12 bands (wannier functions) with no excluding, as the following; nbndsub = 12, nbndskip = 0 from the projection you have defined as, proj(1) = 'B:sp3' OR proj(1) = 'B:s;p' (both looks same for me) within the window defined as, dis_froz_min...

Hi, This looks like a problem in running the code. Your input file is not correct for the new version of the code. If you have used the same input (which runs fine) from the old version, you may have a input flag that exists in the old version and which may not exist in the new version. For example,...

Hi, I think, the latest version is v.5.1.0. S. Ponce, E. R. Margine, C. Verdi, and F. Giustino, Comput. Phys. Commun. 209, 116 (2016) Program EPW v.5.1.0 starts on 18Mar2019 at 17:23: 5 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite &q...

Hi,

It would be easy to go through your problem if you provide inputs/outputs of your system? Also, please include which version of the code and what parameters (for eg. k/q meshes) are you using. Someone will definitely help you after.

Best,
Hari Paudyal
SUNY-Binghamton

Great to know that your problem is resolved !! you are welcome.

Best,
Hari Paudyal

Hi, I have done some tests for a 2D material to calculate lambda using EPW v5.0 (QE-6.3). I also got unreasonable large value of lambda if I use "assume_isolated = '2D'" flag in QE-calculations. However, I got reasonable value of lambda without this flag. This time I can only guess for you...

Hi Chrisewolf, The problem may be due to the inconsistency between the phonon q-points that you have given in the epw input and the one you have calculated. Your dynamical matrix file has q = ( 0.000000000 0.000000000 -0.515870652 ), but you have "0.000000000 0.000000000 -0.498642107" in t...