[Pw_forum] some suggestions regarding the DFT-D module
Paolo Giannozzi
giannozz at democritos.it
Mon Oct 10 13:53:21 CEST 2011
On Mon, 2011-10-10 at 10:37 +0100, pieremanuele canepa wrote:
> Looking at the printing line in module mm_dispersion.f90 in Modules
> the number of correct digits is printed changing F7.3 (in ----> line,
> see below) to F8.3 or F9.3/
fixed
> I guess it would be also nice printing the composed Cij just below.
> Eventually I was wondering why PWscf doesn't print the dispersion
> magnitude on the final energy? It would be nice to see it somewhere.
can you translate this into fortran 90?
P.
--
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
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