[Pw_forum] Problem with Matdyn.x

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Wed Jun 12 08:48:41 CEST 2013


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 & Université Paris 6
phone:+33 (0)1 44275 084 / skype: paulatz
www:  http://www-int.impmc.upmc.fr/~paulatto/
mail: 23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 5

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