EPW Forum

Dear experts, recently I use QE6.6 (and also QE6.7) to calculate EPC property of a 2D materials. However, I run into a promblem that the code stop when reading the "patterns.1.xml" file, with notification of "*** Error in `epw.x': malloc(): memory corruption: 0x0000000009c7a340 ***". My process of t...

Dear developers, I recently try to calculate the e-ph constant and phonon linewidth with the correction of QP energy by G0W0 approximation using QE + EPW + Yambo + Wannier90. I also learn that the above calculation can be done by setting the flag "efermi_read, eig_read". What I have managed to do ar...

Dear all,

The imaginary part of phonon self-energy is related to phonon linewidth, which are written in the file of "linewidth.phself", as well as the standard output file. My question is how to obtain the real part of the self-energy from EPW?

Bests!

Dear Lee,

The method you provided seems valid, and the calculation can proceed using the recompiled program. Thanks.

Best regards!

Dear all, I use epw.x (v5.2) with QEv6.5 to calculate electron-phonon coupling of a 2D material including spin-orbit coupling. Recently, I run into a problem with strange notification (see below). I look into the code and find that that epw.x stops at the 168th line of the "wan2bloch.f90", which rea...

Can anyone help me? thanks

Dear all, I have a question about how to restart the calculation in the following two cases: (1) Calculations of prefix.epb*. I do not find any related input tags about this topic. (2) Interpolations on the fine k- and q-grid. I try to restart from a crashed interpolation calculation, but I failed. ...

Hello, It should have produced it. Maybe a small issue on your cluster while writing. It could also be that for some reason the "tempsmin" values does not get printed but I doubt it. In any case, you can try running: laniso = .true. limag = .true. lpade = .true. nstemp=2, tempsmin=1.0 tem...

Hi, The 1st column should not be identical to 10 K, otherwise all you will see will be data on a straight line. At the points where the 1st column is not 10K, the superconducting gap at that energy (2nd column) is not zero. The height (width of the curve) at each energy value is given by the number...

Dear all, I have a question regrading the plot of superconducting gap of MgB2 in the EPW tutorial, namely figure 4 in the website http://epw.org.uk/Documentation/MgB2 . To simplify my question, we just focus on the data at temp = 10 K. To obtain the related data, I run EPW with the following setting...