[Q-e-developers] a specific question on the whole structure of pwscf
jun.physics at gmail.com
Sun Nov 20 04:54:04 CET 2011
I need to modify pwscf to implement strong correlation effects into the a.b
intit calculation. I am new to QE but need to finish the work quick, so I
would like to ask a generic question about the structure of pwscf.
QE introduces itself that it can use norm-preserving, ultrasoft and PAW
methods to calculation total energy and bandstructure, I am wondering
whether these three different modes are independently implemented, or they
are inter-connect with each other. In both cases, which part should I focus
on if I am only interested in PAW method?
Thank you very much for the help,
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