EPW Forum

Dear H. Lee, In the meantime, in a separate folder, I'm going through the steps without writing the epb files to the disk. In the second epw calculation, I get the error: Using q-mesh file: scf_band.kpt %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine l...

Hello, I'm new to EPW, and want to compute the isotropic Eliashberg function for a solid hydrogen phase. I'm following the steps from Exercise 1 of the "Eliashberg function and superconducting properties" tutorial (Fri.4 at https://docs.epw-code.org/doc/School2018.html - PDF attached). I run an epw ...

Dear H. Lee, Actually I had added the wrong make.inc corresponding to QE-6.6. That was the first one I compiled, but then I compiled a second version which should be built in essentially the saw way as my QE-6.4.1. Now I uploaded the correct make.inc for QE-6.6. As I said, with both versions of QE-6...

Dear H. Lee, Thank you once again for your suggestions. I recompiled QE-6.6 after making sure the make.inc file for the compilation was as similar to that of QE-6.4.1 as possible. I added both to the folder if you'd like to take a look. I then repeated the test, which was successfully completed. How...

Dear H. Lee, Thank you very much for your thoughtful suggestions! 1) EPW 5.1 calculation seems to have worked after getting rid of "fsthick = 1". I added "phband.freqs.2.png" to the folder [https://www.dropbox.com/sh/skp3wglmlzhdx7w/AADtdupVBVMI0z7Q2HqsBdE8a?lst=]. I also added the input and output ...

Dear H. Lee, I tried the quick fix first, using your instructions on [https://forum.epw-code.org/viewtopic.php?p=3403#p3403], but I had the exact same results for the phonon frequencies. So I compiled QE-6.6 as you suggested, and ran the scf and nscf calculations. When I run the first epw calculatio...

Dear H. Lee,

Thank you for your helpful explanations. I will try these suggestions as soon as I can, and will let you know what happens.

Best,
Mehmet

Dear H. Lee, Thank you very much for your suggestions! I will first try again after setting "lifc=.true." when the machine I'm running these calculations on comes back online tonight. I'm hesitant to recompile the new version of QE (6.6) because I've already computed the phonons of these systems, wh...

Hello, I'm new to EPW, and want to compute the e-ph coupling for a solid hydrogen phase. I'm following the steps from the "Electron-phonon coupling with EPW" tutorial (Wed.4 at https://docs.epw-code.org/doc/School2018.html - PDF attached). I'm able to run the code up to page 6 of the PDF, and produc...