Search found 78 matches

by stiwari
Tue Jan 06, 2026 8:53 pm
Forum: General discussion
Topic: 2026 School on Electron-Phonon Physics and Many-body Perturbation Theor
Replies: 0
Views: 870

2026 School on Electron-Phonon Physics and Many-body Perturbation Theor

It is our pleasure to announce the " 2026 School on Electron-Phonon Physics and Many-body Perturbation Theory " which will be held from June 15 to 21 at ICTP in Trieste, Italy. This is an advanced school on first-principles methods for electron-phonon physics and excited-state phenomena, featuring ...
by stiwari
Tue Jan 06, 2026 5:30 pm
Forum: General discussion
Topic: Short Course: “DCOMP Electron-phonon physics from first principles” at 2026 APS Global
Replies: 0
Views: 135

Short Course: “DCOMP Electron-phonon physics from first principles” at 2026 APS Global

We are pleased to announce that on Sunday, March 15, 2026 we will hold a one-day short course on Electron-phonon physics from first principles: Theory and computational tools under the auspices of the Division of Computational Physics (DCOMP) at 2026 APS Global Physics Summit . To register , please ...
by stiwari
Sun Jan 04, 2026 11:35 pm
Forum: Running the code
Topic: segment fault error in EPW 6.0 but not in 5.9
Replies: 4
Views: 1112

Re: segment fault error in EPW 6.0 but not in 5.9

Hello Yujia,

I see, you are using PAW pseudopotential; Can you use ONCV/NC pseudopotential instead of PAW?

Best,
Sabya.
by stiwari
Mon Dec 29, 2025 4:08 am
Forum: Running the code
Topic: el-ph matrix elements in complex form
Replies: 2
Views: 4106

Re: el-ph matrix elements in complex form

Hi,

Please use V6.0 of EPW (with QE 7.5). This new version outputs the real, imaginary, and the absolute el-ph matrix elements.

Best,
Sabya.
by stiwari
Mon Dec 29, 2025 4:06 am
Forum: Running the code
Topic: segment fault error in EPW 6.0 but not in 5.9
Replies: 4
Views: 1112

Re: segment fault error in EPW 6.0 but not in 5.9

Hello Yujia,

Did you run everything including phonon calculations using QE7.5 or you reused the output from QE7.3? I did not see a phonon calculation in your v6.0 folder.

Best regards,
Sabya.
by stiwari
Mon Dec 08, 2025 4:07 am
Forum: Running the code
Topic: Issue in running EPW during mobility calculation in graphene
Replies: 1
Views: 2345

Re: Issue in running EPW during mobility calculation in graphene

Hi, I see you have two projections "proj(1): C:sp3" and again the same as proj(2). You don't need that. Here you are projecting the Wannier orbitals on Carbon atom species; so just one "proj(1): C:sp3" is good. That would still mean you have two sp3 orbital projections on two C atoms, leading to a ...
by stiwari
Mon Dec 08, 2025 4:02 am
Forum: Running the code
Topic: SIGSEGV, segmentation fault related to ep_coarse_compute
Replies: 4
Views: 3014

Re: SIGSEGV, segmentation fault related to ep_coarse_compute

Hi Tong, By looking at your error, most likely you have some missing files in your save folder (a missing dvscf or pattern file). Please check if your ph calculations finished properly. If you still have this error, please attach the full input and output files. Also, let us know the version of QE ...
by stiwari
Sun Oct 26, 2025 9:26 pm
Forum: General discussion
Topic: Tutorial on electron-phonon calculations using EPWpy
Replies: 0
Views: 14708

Tutorial on electron-phonon calculations using EPWpy

The EPW Collaboration is pleased to announce a tutorial on "Introduction to EPWpy and MATCSSI," which will be held on November 19, 2025, as part of the MATCSSI Training Series hosted in collaboration with the Texas Advanced Computing Center (TACC). This tutorial will introduce participants to the ...
by stiwari
Mon Oct 13, 2025 10:25 pm
Forum: Running the code
Topic: Electron relaxation time calculation
Replies: 10
Views: 70438

Re: Electron relaxation time calculation

Dear Topgun,

Yes, you can register for MATCSSI portal if you have a TACC account. You can follow this link "https://tacc.utexas.edu/use-tacc/getting-started/" to getting started with the creation of a TACC account.

Best regards,
Sabya.
by stiwari
Wed Sep 03, 2025 12:36 am
Forum: Running the code
Topic: Discrepancy in Fermi Energy Levels from EPW and SCF Calculations for AB-Stacked Bilayer Graphene
Replies: 4
Views: 38557

Re: Discrepancy in Fermi Energy Levels from EPW and SCF Calculations for AB-Stacked Bilayer Graphene

Hi Apricity, I see that in the output epw writes " Fermi energy coarse grid = -0.648629 eV". Which means this is the Fermi-level obtained after the NSCF calculation. The reason is that in nscf calculation you have used "smearing = mv" which results in Fermi-level being dependent on your "degauss ...