Hi Valentina, If it runs without errors, it?s fine. I remember a colleague of mine changed the output format in the mm_dispersion.f90 file and recompiled. The **** comes from the chosen output in that file.
If it crashes, then there are no parameter files for it and you?ll have to put them in and recompile. Cheers, Martin ???????????????????????? Martin P. Andersson Assistant Professor Nano-Science Center, Department of Chemistry University of Copenhagen, Denmark Tel: +45 3532 0280 Mobile: +46 733 893091 E-mail: ma at nano.ku.dk ???????????????????????? On 09 Jun 2014, at 16:00, Valentina Cantatore <valecantatore at gmail.com> 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 > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140609/33203fbc/attachment.html
