I will :) -- Please consider the environment before printing this e-mail. 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 ----------------------------------------------------------- ________________________________________ From: pw_forum-bounces at pwscf.org [pw_forum-bounces at pwscf.org] On Behalf Of Paolo Giannozzi [giann...@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 _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum