EPW Forum

Hi Hari,

Thank you for letting me know. I'm using the QE version 6.7 linked on the page [https://docs.epw-code.org/doc/DownloadA ... -epw-5-3-1]. The supercond.f90 file I have seems identical to the one you linked.

Best,
Mehmet

Hi Hari,

Thank you very much for your response! I compiled QE 6.7 and resubmitted the job to run with that version. Do I need to change anything in the input or is it going to find the crystal.fmt file which is in the directory?

Best,
Mehmet

Hello, I'm trying to compute the superconducting gap of a system on the Fermi surface, closely following the tutorial at [https://docs.epw-code.org/doc/MgB2.html]. However, the k-points in the imag_aniso_gap_FS files are all printed as (0,0,0). Other than that, everything seems to have gone well. My...

Dear H. Lee,

Thank you for reminding me about the save folder. Indeed, I didn't update the dynamical matrix files there but instead, just updated the original files created by the ph.x run. Hopefully it should work now. Thank you very much for your help!

Best,
Mehmet

Hello, I want to compute the superconducting properties of a material after applying anharmonic corrections to dynamical matrices. To do that, I compute the anharmonic corrections using a different code, and then update the .dyn files that Quantum Espresso generates to make sure the format is consis...

Dear H. Lee, Thank you very much for providing greatly valuable information, as always. I'm going to retry the calculation and give you an update. Thank you also for working on improving the reliability of heavy I/O. Please let me know when there are any updates to the code relevant to this issue. B...

Dear H. Lee, Thank you for reminding me about the I/O issues. Luckily I had commented out that line. Also, all the ephmat files (except ephmat2) passed the test. I added the make.inc file I used to the attachments [https://www.dropbox.com/sh/zwjvc2hq600kry2/AABKFIy-iiaScdoCYyoi7bYxa?dl=0]. I think i...

Dear H. Lee, You are right, the file is corrupted when about 12% of it has been written, if my interpretation is correct, which is a bad sign. I'm currently looping over the other 127 ephmat files with your test script to see if they have any I/O errors (so far they are fine). I guess if only 1 file...

Dear H. Lee,

It is 442115728 bytes.

Best,
Mehmet

Dear H. Lee,

Thank you! The program stopped with the output: "Error occurs at 3320497". So it looks like the file is corrupted, is that right?

Best,
Mehmet