No subject
Tue Jul 10 14:20:16 CEST 2007
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
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"If you're a mad scientist, you can use
GPLv2'd software for your evil plans to
take over the world"
Linus Torvalds
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