[Pw_forum] some suggestions regarding the DFT-D module

[P.Canepa]

I will :) 
--
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Pieremanuele Canepa
Room 104
Functional Material Group
School of Physical Sciences, Ingram Building,
University of Kent, Canterbury, Kent,
CT2 7NH
United Kingdom

e-mail: pc229 at kent.ac.uk
mobile: +44 (0) 7772-9756456
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________________________________________
From: pw_forum-bounces at pwscf.org [pw_forum-bounces at pwscf.org] On Behalf Of Paolo Giannozzi [giannozz at democritos.it]
Sent: Monday, October 10, 2011 12:53 PM
To: PWSCF Forum
Subject: Re: [Pw_forum] some suggestions regarding the DFT-D module

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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