[Pw_forum] Bug in Raman calcs with no-symmetries

instruction in both routines is IF (nsym == 1) RETURN This should be changed (in both routines) with IF (nsym >= 1) THEN 2) then, you should add the line END IF before the comment "Bring to cartesian axis" Best regards Marc Blanchard &

Re: [Pw_forum] Bug in Raman calcs with no-symmetries

0.0 ) ( 0.0 3.592025004 0.0 ) ( 0.0 0.0 -2.186618341 ) Sincerely Marc Blanchard & Michele Lazzeri ___ Dr Marc Blanchard Equipe de Minéralogie Environnementale I

[Pw_forum] Open postdoctoral position in computational molecular modelling for geochemical applications

project are based on density functional theory). Knowledge in geosciences will be greatly appreciated. See attachment for further information. ___ Dr Marc Blanchard Equipe de Min?ralogie Environnementale Institut de Min?ralogie et de Physique des Milieux Consens?s (IMPMC