[Pw_forum] more k-points
Wilfredo Ibarra Hernández
wibarrah at gmail.com
Wed Jul 20 19:12:06 CEST 2011
Hello pwscf community
I'm calculating el-ph interaction with pwscf, and for this is necessary a
dense k-point grid
I put a 60X60X60 grid of k-points, but the code don't let me do this.
I'm looking for the npk variable for do it greater and neglect the error "to
dense k-point grid"
My question is, modifying npk, Is possible solve my problem? and if the
answer is yes,
Where is this variable?.
I know about another code which can do el-ph calculation using Wannier
functions (EPW)
but this code doesn't work with the trigonal structure, and this is the
reason which
I'm doing my calculations with pwscf.
Thanks for your help.
--
Ibarra Hernández Wilfredo
Master student in materials sciences
Cinvestav Querétaro México
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