hello all, I'd like to calculate phonon dispersion and i use 1D materials(x-direction).
So ,i want to add asr-"one-dim", the cartesian axis is along x,how to specify x in matdyn,q2r input. asr ="one-dim'3 translational asr + 1 rotational asr ! imposed by optimized correction of the dyn. mat. (the ! rotation axis is the direction of periodicity; it ! will work only if this axis considered is one of ! the cartesian axis). best, REI -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130627/675d7a55/attachment.html
