[Pw_forum] Average potential calculation and Cs ultra soft pseudo-potential

Paolo Giannozzi giannozz at democritos.it
Tue Mar 13 12:19:51 CET 2012


On Mon, 2012-03-12 at 15:49 -0600, Tram Bui wrote:

> would it possible to calculate the average potential over a region in QE? 

have a look at the utility code PP/average.f90

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy





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