Hi,
try changing the etf_mem from 1 to 0 and request more memory from your computational node.
Best,
Andrei
Search found 24 matches
- Thu Aug 02, 2018 12:18 pm
- Forum: Running the code
- Topic: Error when running the epw.x for the example
- Replies: 2
- Views: 3061
- Thu Aug 02, 2018 12:07 pm
- Forum: Running the code
- Topic: Zero or infinite values in a2f files
- Replies: 11
- Views: 9618
Re: Zero or infinite values in a2f files
Hi! I would say that, although the spreads are low, you wannierization didn't went well. 300 for num_iter and dis_num_iter seem too smal to me. Besides the gap at Dirac point there are number of strange looking regions on band structure, which would be seen if you compare your W90 band structure wit...
- Mon Apr 16, 2018 11:44 am
- Forum: Running the code
- Topic: Polar 2D materials and the new Coulomb truncation in QE.
- Replies: 3
- Views: 3936
Re: Polar 2D materials and the new Coulomb truncation in QE.
Hi! As far as I know, assume_isolated='2D' is unusable with EPW right now. It, most probably, breaks at the point where the potential change with phonon perturbation is written in QE ph.x calculation. The resulting electron phonon coupling elements are enormous in EPW: factor ~100 (or higher) from e...
- Mon Apr 09, 2018 3:59 pm
- Forum: Compilation
- Topic: superconductivity.o in github/gitlab repositories version
- Replies: 2
- Views: 26145
Re: superconductivity.o in github/gitlab repositories versio
Dear Samuel,
Yes, it does work, thank you!
Best wishes,
Andrei
Yes, it does work, thank you!
Best wishes,
Andrei
- Fri Apr 06, 2018 8:47 am
- Forum: Compilation
- Topic: superconductivity.o in github/gitlab repositories version
- Replies: 2
- Views: 26145
superconductivity.o in github/gitlab repositories version
Hi! I have a problem making the latest development version of EPW from both m and m the problem for both version appears on make epw step: make[2]: *** No rule to make target 'superconductivity.o', needed by 'libepw.a'. Stop. make[2]: Leaving directory '/vol/tcm36/andreil/codes/QE_dev/epw_rep/q-e/EP...
- Wed Feb 14, 2018 11:13 am
- Forum: Running the code
- Topic: Speeding up epwwrite (if possible)
- Replies: 2
- Views: 3684
Re: Speeding up epwwrite (if possible)
Dear Andrei, The calculation of the epmatwp can indeed be a bottleneck. Possible solution to speed things up: - use etf_mem = 0: This should speed things up a little bit but is usually very memory demanding. In most cases you will not have enough memory on your nodes. - use more nodes: Use the maxi...
- Thu Feb 01, 2018 11:50 am
- Forum: Running the code
- Topic: a2F files
- Replies: 5
- Views: 5753
Re: a2F files
Hi! Can I know what are the 11 columns in a2F and a2F_tr output files please ? I believe they contain the following data: 1 column: phonon frequency 2 - 11 columns: a2F(omega) at differing phonon smearing values, smearing values can be found in the bottom of the file (search for "Phonon smearin...
- Thu Feb 01, 2018 11:38 am
- Forum: Running the code
- Topic: Speeding up epwwrite (if possible)
- Replies: 2
- Views: 3684
Speeding up epwwrite (if possible)
Dear EPW developers and users, I have a question regarding the speed of epwwrite step of EPW. My workflow, starting from the point, where wannierisation is finished is the following: -calculate kmaps separately -calculate epmatw* files -reuse epmatw* files for all futher (selfens, nesting function.....
- Thu Nov 02, 2017 3:07 pm
- Forum: Running the code
- Topic: Question on |g|(qx,qy) distribution
- Replies: 12
- Views: 7544
Re: Question on |g|(qx,qy) distribution
TL;DR: To obtain adequate |g_ijnu| distribution for the whole BZ, fsthick must include not only all the E( k ), but also E( k+q ) of bands you want to build distribution for. In my case fsthick of 3eV was not enough. Degenerate states need special treatment, since non diagonal electron-phonon matrix...
- Tue Oct 24, 2017 4:04 pm
- Forum: Running the code
- Topic: Question on |g|(qx,qy) distribution
- Replies: 12
- Views: 7544
Re: Question on |g|(qx,qy) distribution
Thank you for the link.
Do you mean the bulk silicon or silicene?
Best,
Andrey
sponce wrote:Another idea from Carla: you could try the silicon case (should be very cheap). Try to do the same plot as for your graphene. This should work and not give stripes.
Do you mean the bulk silicon or silicene?
Best,
Andrey