k-points in imag_aniso_gap_FS files not printed correctly
Posted: Sun Feb 28, 2021 8:21 pm
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 guess is that it is somehow related to the fact that I restarted this calculation after computing the electron-phonon matrix elements in a separate run (see epw1.in & epw1.out in the attachments). All attachments can be found at [https://www.dropbox.com/sh/9fxyns152apl ... Nt27a?dl=0].
The calculations that generated these imag_aniso_gap_FS files are epw2.in (ran first) and epw2r.in (ran second), each running a single temperature. Both temperatures resulted in the k-point misprinting. The outputs have the warning:
Many parameters (lattice parameters etc.) are printed as zero in the output file and it says "number of k points= 0", but, after it starts solving the anisotropic Eliashberg equations, the calculations seem to be correct. So, is there a way to restart these calculations so that the program prints the k-points correctly? Thank you very much!
Best,
Mehmet Dogan
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 guess is that it is somehow related to the fact that I restarted this calculation after computing the electron-phonon matrix elements in a separate run (see epw1.in & epw1.out in the attachments). All attachments can be found at [https://www.dropbox.com/sh/9fxyns152apl ... Nt27a?dl=0].
The calculations that generated these imag_aniso_gap_FS files are epw2.in (ran first) and epw2r.in (ran second), each running a single temperature. Both temperatures resulted in the k-point misprinting. The outputs have the warning:
Code: Select all
RESTART - RESTART - RESTART - RESTART
Restart is done without reading PWSCF save file.
Be aware that some consistency checks are therefore not done.
Best,
Mehmet Dogan