Search found 8 matches
- Sat Jun 17, 2023 2:51 am
- Forum: General discussion
- Topic: Memory error, how to continue?
- Replies: 1
- Views: 14537
Memory error, how to continue?
Dear EPW developers, A memory error occurred when I calculated the superconducting energy gap with epw. Since the superconducting energy gap calculation is time-consuming, how do I continue the calculation from where the program left off? =============================================================...
- Thu May 19, 2022 1:54 pm
- Forum: General discussion
- Topic: Error in routine read_frequencies
- Replies: 9
- Views: 7703
Re: Error in routine read_frequencies
Dear Dr. H. Lee Thank you very much for your help! It works. But another error was reported, It seems to be a lack of memory. Is there anything I can do to keep it going because I've already spent two days? do I have to recalculate? Finish reading ikmap files Size of required memory per pool: ~= 15....
- Sat May 14, 2022 5:58 am
- Forum: General discussion
- Topic: Error in routine read_frequencies
- Replies: 9
- Views: 7703
Re: Error in routine read_frequencies
Dear Dr. H. Lee Thank you very much for your reply. For your convenience, I have attached my nscf files as follows. part of nscf.in &CONTROL calculation='nscf', prefix='sh3', pseudo_dir='./', outdir='./', verbosity='high', / &SYSTEM ibrav=0, nat=14, ntyp=3, ecutwfc=100, ecutrho=1000, occupations='sm...
- Fri May 13, 2022 4:18 am
- Forum: General discussion
- Topic: Error in routine read_frequencies
- Replies: 9
- Views: 7703
Re: Error in routine read_frequencies
Dear Dr. H. Lee Thanks for your reply, I have checked and recalculated it according to your suggestion. Frist, I got the Fermi energy and the number of electrons form scf.out with 12x12x12 grids, the Fermi energy is 9.3731 ev number of electrons = 56.00 and then I determined the Wannier functions, a...
- Thu May 05, 2022 9:10 am
- Forum: General discussion
- Topic: Error in routine read_frequencies
- Replies: 9
- Views: 7703
Re: Error in routine read_frequencies
Dear Dr. H. Lee Thanks for your reply, I removed the "restart" parameter and recalculated it, but I have a another problem now. the e-ph coupling strength in my output file is zero. epw.in -- &inputepw prefix = 'sh3', amass(1) = 24.31, amass(2) = 50.94, amass(3) = 1.008, outdir = './' dvscf_dir = '....
- Fri Apr 29, 2022 11:47 am
- Forum: General discussion
- Topic: Error in routine read_frequencies
- Replies: 9
- Views: 7703
Error in routine read_frequencies
Dear Developers, I tried to use EPW 5.4.1 to calculate the superconducting properties and met running error with the information, Could you please tell me how to fix this problem? Thank you! Ray epw1.out: Writing Hamiltonian, Dynamical matrix and EP vertex in Wann rep to file =======================...
- Tue Mar 15, 2022 1:36 am
- Forum: Running the code
- Topic: Error in routine epw_readin
- Replies: 3
- Views: 2178
Re: Error in routine epw_readin
Dear H. Lee,
Thank you for your response. Error is still reported after modification according to your method.
Thank you for your response. Error is still reported after modification according to your method.
- Mon Mar 14, 2022 2:40 am
- Forum: Running the code
- Topic: Error in routine epw_readin
- Replies: 3
- Views: 2178
Error in routine epw_readin
Dear developers and users, I'm trying to calculate the epw1.in of Pb according to the EPW manual, but an error was reported in the epw1.out file. And I couldn't find any mistake in the calculation, the files I used in the following attachments. I would appreciate it if someone could give me some sug...