[Pw_forum] LDA+U+Phonons

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

[Pw_forum] No k-point in electronic band structure diagram generated by plotband.x

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

[Pw_forum] HSE Elevated Electronic Temperatures

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

[Pw_forum] [qe-gpu]

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