.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 requ
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 B lattices.
>
> You will never
There is no problem with kgen.
Your two structures are P and B lattices.
You will never be able to make identical k-meshes for them, as the BZ is
different and also the size of the unit cell and number of atoms/unit
cell differ by a factor of 2 (although one specifies the same lattice
parame
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
> if((iarb(1).eq.1).an
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