:
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You cannot simply IGNORE warnings and errors during init_lapw.
Whenever an error occurs, it is quite natural that following steps
(like run_lapw) will not work.
The first WARNINGS after nn means, that your atoms had wrong equivalency and
were
automatically regrouped. While this has been
In an official WIEN2k installation (unsing siteconfig) Makefile is not used,
but we
use Makefile.orig. This does not use zfft3.o anymore.
PS: The fftw4 interface was done by some student. Unfortunately it introduced
severe
problems, which I could not even solve so far for all possible
case.inst looks ok, provided your AFM structure is such that 1st and 3rd atom
are up,
and 2nd,4th are dn
k-points: testing
Am 01.12.2012 00:22, schrieb Mourad Karima:
Dear All
I'm studing a 8 atoms supercell of Antiferromgnetic ,all oxygen is
nonmagnetic
kgen in ferromagnetic
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Hello WIEN2k users,
I am using WIEN2k version 11.1. In L2MAIN.F line 747 reads:
IF(myid_vec*ibpp*iblock+i-1.GT.n-(nlo+nlon+nlov)) EXIT
If I understand what this part of the code is doing properly, I think it should
be a .GE. condition rather than a .GT. condition.
To explain my line of
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