On Tue, Jan 14, 2020 at 1:10 PM Shoaib Muhammad wrote:
>
> Another issue is that some times in vc-relax calculations using hybrid XC
> functions, optimization does not converge and stress, force, lattice
> parameters, optimization energy keep fluctuating between 2 points only.
>
it seems to be
Dear Muhammad,
the first of the two issues should have been fixed in one of the recent
commits in the develop branch of QE on GitLab repository, together with a
factor 2 correction on the libxc-gga functionals.
Please try your DOS calculation by downloading the latest develop version.
Best
Dear QE developers,
In QE6.5, I cannot calculate DOS when I have input_dft = SCAN in my input
file. The same file works fine when I calculate DOS in QE6.4.1
In QE6.5, scf works fine but while calculating DOS, I receive the following
error:
Program DOS v.6.5 starts on 14Jan2020 at 15:41:25
