Dear Valentina It has been recently pointed out that the *'s are due to a format statement in the standard output, which limits the digits without affecting the calculation results. HTH Giuseppe
On Monday 09 June 2014 16:00:42 Valentina Cantatore wrote: > Hi everyone! > > I'm trying to use the Grimme dispersion correction in my calculations. > The studied system is CH3NH3PbI3. > > Since I'm using the v.5.0.2 (svn rev. 9656) of the program I used the > keyword london='.true.' > > The problem is that I have in the output the following lines: > > ------------------------------------- > Parameters for Dispersion Correction: > ------------------------------------- > atom VdW radius C_6 > > Pb 3.673 ******* > I 3.575 ******* > C 2.744 60.710 > N 2.640 42.670 > H 1.892 4.857 > > Does it mean that C_6 are not defined for Pb and I? Or am I wrong in > something? > > Thank you for your answers. > > Valentina Cantatore > PostDoc Researcher @ DISIT - Universit? del Piemonte Orientale > Alessandria, Italy ******************************************************** - Article premier - Les hommes naissent et demeurent libres et ?gaux en droits. Les distinctions sociales ne peuvent ?tre fond?es que sur l'utilit? commune - Article 2 - Le but de toute association politique est la conservation des droits naturels et imprescriptibles de l'homme. Ces droits sont la libert?, la propri?t?, la s?ret? et la r?sistance ? l'oppression. ******************************************************** Giuseppe Mattioli CNR - ISTITUTO DI STRUTTURA DELLA MATERIA v. Salaria Km 29,300 - C.P. 10 I 00015 - Monterotondo Stazione (RM) Tel + 39 06 90672836 - Fax +39 06 90672316 E-mail: <giuseppe.mattioli at ism.cnr.it> http://www.ism.cnr.it/english/staff/mattiolig ResearcherID: F-6308-2012
