On Wed, 15 Feb 2012 08:37:12 +0100, Vo, Trinh (388C) <Trinh.Vo at jpl.nasa.gov> wrote: > I run a scf calculation for a system, which is base center orthorhombic, > (space group #36). In the output file, I obtained a list of kpoits in > irreducible BZ. For ibrav > 0, I can use "kpoint.x" to generate the > whole kpoint list in the BZ. For the case ibrav=0, is there a way that > I can obtain something similar?
You can set-up a "fake" calculation for the system with nosym=.true. and noinv=.true. and run it for just a few seconds until the list of k-points is printed. Then stop the calculation, copy and paste. You may need to set verbosity='high' if the number of k-points is very large. bests -- 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 05
