[Q-e-developers] a specific question on the whole structure of pwscf

[Jun Liu]

Dear Developers,

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,

-- 
Sincerely,
Jun
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/developers/attachments/20111119/6e1eb1f1/attachment.html>