Re: [Wien] Fwd: Likely source/s of stupid kgen error

.ac.at] im Auftrag von Laurence Marks [l-ma...@northwestern.edu] Gesendet: Mittwoch, 7. September 2016 23:33 An: A Mailing list for WIEN2k users Cc: Tassie Andersen Betreff: Re: [Wien] Fwd: Likely source/s of stupid kgen error Thanks. N.B., is the write statement write(*,*) 'Lattice symmetry requires

Re: [Wien] Fwd: Likely source/s of stupid kgen error

Thanks. N.B., is the write statement write(*,*) 'Lattice symmetry requires equal mesh in y and z direction' inconsistent -- should be x and z ? On Wed, Sep 7, 2016 at 3:37 PM, Peter Blaha wrote: > There is no problem with kgen. > > Your two structures are P and

Re: [Wien] Fwd: Likely source/s of stupid kgen error

On Wednesday, 7 September 2016, Laurence Marks wrote: > One of my students noticed an inconsistency in basdiv.f which might be > a source of a problem she has (or not), see below. For certain the > code and comments appear to be inconsistent: > > read(*,*) n >

[Wien] Fwd: Likely source/s of stupid kgen error

One of my students noticed an inconsistency in basdiv.f which might be a source of a problem she has (or not), see below. For certain the code and comments appear to be inconsistent: read(*,*) n if((iarb(1).eq.1).and.(n(1).ne.n(2))) then write(*,*) 'Lattice symmetry