Search found 4 matches

by Rapunzel
Mon Sep 07, 2020 2:08 am
Forum: Running the code
Topic: Some errors in using epw.x to calculate 2D materials
Replies: 2
Views: 2904

Re: Some errors in using epw.x to calculate 2D materials

This is the last small part of the document of my epw.out file: We only need to compute 1600 q-points Progression iq (fine) = 100/ 1600 Progression iq (fine) = 200/ 1600 Progression iq (fine) = 300/ 1600 Progression iq (fine) = 400/ 1600 Progression iq (fine) = 500/ 1600 Progression iq (fine) = 600 ...
by Rapunzel
Mon Sep 07, 2020 2:04 am
Forum: Running the code
Topic: Some errors in using epw.x to calculate 2D materials
Replies: 2
Views: 2904

Some errors in using epw.x to calculate 2D materials

Dear all, I had some problems when I was running epw.x ,it always reports this error, as shown below. After querying the data, I know that it is a data storage group error, but I don't know how to solve it, and I don't know what kind of output file should be after epw. x runs. I post the error here ...
by Rapunzel
Wed Aug 26, 2020 2:42 am
Forum: Running the code
Topic: EPW wannerization step error
Replies: 4
Views: 4474

Re: EPW wannerization step error

Dear hlee: Thanks for your reply. This question has puzzled me for a long time, and I would appreciate it if you could give me your opinion. the version of EPW is 5.1.0. Here's my inputs of QE and EPW : phonons_scf: &control calculation='scf' restart_mode='from_scratch', pseudo_dir = './pp', outdir ...
by Rapunzel
Tue Aug 25, 2020 8:09 am
Forum: Running the code
Topic: EPW wannerization step error
Replies: 4
Views: 4474

Re: EPW wannerization step error

I have encountered the same problem. Have you solved this problem? Can you give me your solution? Thank you very much!