[QE-users] tutorial for the FCP method

Lucian D. Filip lucian.filip at infim.ro
Mon Apr 11 08:48:24 CEST 2022


Hello all,

Is there a tutorial out there that explains in detail how to use the FCP 
method? I have read the one in the PW/examples on github but I can't 
figure out what it is trying to accomplish.

It is split into three types of calculations: 1) ESM calculation; 2) FCP 
calculation; 3) GCSCP calculation. Why is that? Are they related? Is 
this the order one is supposed to use to obtain a what exactly?

Can someone explain the purpose of each steps taken in this example?


Thank you!


Lucian

-- 
Dr. Lucian Dragos Filip
National Institute of Materials Physics
Atomistilor str. 405A
PO Box MG. 7
Magurele, 077125
Bucharest, Romania
E-mail:   lucian.filip at infim.ro
Website: http://lucianfilip.wordpress.com



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