Search found 82 matches
- Thu Mar 11, 2021 6:49 pm
- Forum: Running the code
- Topic: Error whilst calculating the superconducting gap
- Replies: 3
- Views: 2401
Re: Error whilst calculating the superconducting gap
Dear hpaudya1, Thanks for your time to reply to y message. However, I cannot see any warning in the output file before the code crashed. The temperature at which the code crashed is actually 0.3 K . the estimated Tc from Allen Dynes is around 12.37K. I ma trying to reproduce the Pb example in the EP...
- Thu Mar 11, 2021 4:45 am
- Forum: Running the code
- Topic: Error whilst calculating the superconducting gap
- Replies: 3
- Views: 2401
Error whilst calculating the superconducting gap
Dear all, I am running the Pb example to solve the isotropic Eliashberg equations to obtain the superconducting edge gap and Tc at various temperatures. EPW performs the first run but then crashes with a mysterious error involving several "tasks": %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%...
- Sat Jul 11, 2020 7:26 pm
- Forum: Running the code
- Topic: Error in routine ktokpmq (1): k+q does not fall on k-grid
- Replies: 13
- Views: 9557
Re: Error in routine ktokpmq (1): k+q does not fall on k-grid
Dear H. Lee,
The 'bvec' files were not produced since the code stops before calculating them.
As I recall , the velocity matrix elements were not computed in the older version of EPW-3.0.0
As far as lambda (el-ph coupling) calculations are concerned, My calculations are running fine.
Regards
The 'bvec' files were not produced since the code stops before calculating them.
As I recall , the velocity matrix elements were not computed in the older version of EPW-3.0.0
As far as lambda (el-ph coupling) calculations are concerned, My calculations are running fine.
Regards
- Fri Jul 10, 2020 7:02 pm
- Forum: Running the code
- Topic: Error in routine ktokpmq (1): k+q does not fall on k-grid
- Replies: 13
- Views: 9557
Re: Error in routine ktokpmq (1): k+q does not fall on k-grid
Dear H.Lee,
Setting vme=.false. in the epw1.in and in subsequent input files solved the problem.
Thanks once again for your help.
Regards
Setting vme=.false. in the epw1.in and in subsequent input files solved the problem.
Thanks once again for your help.
Regards
- Fri Jul 10, 2020 2:40 pm
- Forum: Running the code
- Topic: Error in routine ktokpmq (1): k+q does not fall on k-grid
- Replies: 13
- Views: 9557
Re: Error in routine ktokpmq (1): k+q does not fall on k-grid
Dear H. Lee,
Thanks for your suggestions. Meanwhile the calculations are running with vme=.false. I will check if the calculations survive beyond the 'decay.H' output. If not, I will see how I can resolve it and let you know.
Regards
Thanks for your suggestions. Meanwhile the calculations are running with vme=.false. I will check if the calculations survive beyond the 'decay.H' output. If not, I will see how I can resolve it and let you know.
Regards
- Fri Jul 10, 2020 3:08 am
- Forum: Running the code
- Topic: Error in routine ktokpmq (1): k+q does not fall on k-grid
- Replies: 13
- Views: 9557
Re: Error in routine ktokpmq (1): k+q does not fall on k-grid
Dear H. Lee, Once again thank you very much for your effort to help me discover where the error is. Answering your questions: 1- the q-points are exactly the same in both systems. 2- nosym=.true. is set the same in both systems. I usually set it to true so that exactly 2304 points are produced. 3- t...
- Thu Jul 09, 2020 2:35 pm
- Forum: Running the code
- Topic: Error in routine ktokpmq (1): k+q does not fall on k-grid
- Replies: 13
- Views: 9557
Re: Error in routine ktokpmq (1): k+q does not fall on k-grid
Dear H. Lee, Thank you for your response. The version of EPW I am using is the one that comes with teh QE-6.5 package. I did not download it separately. 1- my PBS script file looks like: #PBS -S /bin/bash #PBS -l select=8:ncpus=16:mpiprocs=16:ompthreads=1:mem=50gb #PBS -N system ##PBS -l place=free:...
- Wed Jul 08, 2020 7:25 pm
- Forum: Running the code
- Topic: Error in routine ktokpmq (1): k+q does not fall on k-grid
- Replies: 13
- Views: 9557
Error in routine ktokpmq (1): k+q does not fall on k-grid
Dear All, I am performing some elph calculations using EPW. However while running the epw1.in input file (to calculate the elph matrices), the code calculates everything but then stops with an error: Use zone-centred Wigner-Seitz cells Number of WS vectors for electrons 2353 Number of WS vectors for...
- Fri Jul 26, 2019 3:31 pm
- Forum: General discussion
- Topic: electron phonon coupling and temperature
- Replies: 1
- Views: 2201
electron phonon coupling and temperature
Dear all, I was wondering if the electron phonon coupling changes with temperature. If yes, Is it possible to directly calculate this change by varying the flag etemp (does this flag have an effect at all when calculating the e-p coupling). Or it has to be done indirectly by varying the Fermi energy...
- Wed Apr 17, 2019 1:34 pm
- Forum: Running the code
- Topic: Problem with number of electrons
- Replies: 2
- Views: 3173
Re: Problem with number of electrons
Please,
can anyone respond to my question whenever you guys are free.
Thanks
can anyone respond to my question whenever you guys are free.
Thanks