Dear wien2k community,
I am trying to run the new version of the code on a fresh install of Ubuntu
18.04.2 LTS.
It is serial (with OMP) compilation with no libxc, fftw, scalapack, elpa.
Since WIEN2k_16 it was more or less Ok to compile the code with gfortran,
but with new version there are
Dear wien2k users,
In the OMP version of lapw0 (with more than one thread in parallel) the
correlation energy and potential of the PW91 GGA-functional is wrong.
There are no problems with the standard functionals (LDA, PBE, PBESOL,
WC, mBJ) and even for PW91 the problem appears only for
2 matches
Mail list logo