On 06/12/2013 05:34 AM, Hongze Xia wrote: > I made sure that it is REALLY 151 points in total. I looked at the > file "matdyn.f90" line 377, it said "read from unit 5 to variable > *nq*", where *nq* I supposed it is the number of k-points.
You have to remove the line K-POINTS crystal I do not know where you found it, but it does not exist in matdyn (scarce) documentation. of course, you can just run matdyn, no need to repeat the entire calculation. bests -- Dr. Lorenzo Paulatto IdR @ IMPMC -- CNRS & Universit? Paris 6 phone:+33 (0)1 44275 084 / skype: paulatz www: http://www-int.impmc.upmc.fr/~paulatto/ mail: 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 5 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130612/3e9c0595/attachment.html
