convert from Bohr radii to Angstroms? (just guessing ...) - SB On Sep 20, 2012, at 11:45 AM, Sakhrawi Taoufek wrote:
> I made ??a pw.x calculation for the compound FeRh to estimate the value of a, > the problem is that I always find a value that doubles the expected value > Do you have any idea what to do > thank you > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum --- Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - Trieste http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype) La morale est une logique de l'action comme la logique est une morale de la pens?e - Jean Piaget -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120921/26222972/attachment-0001.htm
