[Pw_forum] How to generatie all kpoints for the case ibrav=0

Vo, Trinh (388C) Trinh.Vo at jpl.nasa.gov
Wed Feb 15 08:37:12 CET 2012


Dear All,

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?

Thank you very much,

Trinh Vo
Computing group
JPL/CalTech
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