save some data from the self-consistent calculations. Is this data-saving flag equivalent to the previous way of computing the el-ph coupling with a second very dense non self-consistent mesh? In the case of not being equivalent, how small are the differences?
On another ground, are displaced Monkhorst-Pack grids compatible with electron phonon calculations? I'd say no, since the displacement is grid dependent, and this wouldn't assure that k+q falls in a point in fine k. Any comments? Thanks in advance, Miguel ---------------------------------------- Miguel Mart=EDnez Canales Dto. F=EDsica de la Materia Condensada UPV/EHU Facultad de Ciencia y Tecnolog=EDa Apdo. 644 48080 Bilbao (Spain) Fax: +34 94 601 3500 Tlf: +34 94 601 5437 ---------------------------------------- "If you're a mad scientist, you can use GPLv2'd software for your evil plans to take over the world" Linus Torvalds
