EPW Forum

Dear all, I am using EPW to calculate a2f function of copper. But I found my result is too large compared with reference and phonon density of states(phdos). Unfortunately, I cannot find any problem from my codes. Below is my codes. &control calculation='scf', prefix='Cu', pseudo_dir = '../../pp ...

Dear wqx: Basically, the question on the phonon code in QE should be asked on the QE forum. In any case, I think the issue with your inputs is related to your chosen path; for instance, the coordinate of the 2nd (1st) point is different from that of the 4th (5th) point. 6 0.0000 0.0000 0.0000 30 0 ...

Dear all, I am using QE to calculate phonon dispersion of copper. But I found my result is different with reference. Could you find some problems in my calculation? &CONTROL calculation='scf' pseudo_dir='./' outdir='./' restart_mode='from_scratch' prefix='Cu' / &SYSTEM ibrav= 2 nat= 1 ntyp= 1 celldm ...

Dear developers, I am using Quantum Espresso EPW and trying to calculate Eliashberg function alpha2F(w). But I found my result cannot fit with all references. I checked band structure and phononn density of states. I think these results are correct. band structure.png band structure reference.png ...