Way back in the summer of 2008, I posted several threads regarding the
possibility of eventually incorporating into QE a tool to compute the
electron-phonon interaction in Mott-Hubbard systems (especially doped)
following an appropriate LDA+U scf computation. Yet I see such a tool still
remains un
Dear QE users,
I'm trying to get the band structure of bulk silicon with diamond structure
by using plotband.x. The produced band diagram doesn't show the k-point in
horizontal axis (attached file). Does any one know how to fix the problem?
Best,
Reza
si.bands.ps
Description: PostScript documen
Hey,
Is it possible to actually examine the hybrid functionals within espresso at
elevated electronic temperatures? I've applied fermi-dirac broadening, and the
relevant temperature I want (25,000 K converted to Ry), however again I'm
getting a very strange behaviour when trying cut off energy
Dear QE users
I was configuring qe-gpu 14.10.0 with espresso-5.1.2 on ubuntu 14.04
.Serial Configuration was successful, but when i run makefile, it gives me
the following error
/usr/bin/ld:
/home/anubhav/Downloads/espresso-5.1.2/GPU/..//qe-magma/lib/libmagma.a(ztrevc3_mt.o):
undefined reference