On Fri, Jul 30, 2021 at 9:40 PM venky ch wrote:
>
> I have given a search on the internet and found that it is related to the
> old version of gfortran used here. But this line is compiled using mpif90
>
your mpif90 is using gfortran to compile. The error message has the form of
a gfortran error
Dear Prof. Paolo,
Thanks for your reply. Again, I did with the "mpiifort" which uses ifort
compiler. The error persists the same as previous.
thanks
venkatesh
==
mpiifort -static-intel -o pw.x \
pwscf.o libpw.a ../../Modules/libqemod.a
../../KS_Solvers/libks_solvers.a ../../FF
Hi,
This is Soumendra. I am using quantum espresso and trying to learn by
myself. I want to use the scan functional for some calculations in QE.
Actually the pseudopotential file with scan functional is not available in
the pseudopotential directory. Can somebody suggest to me what to do ?
--
Re
Pseudopotentials created using SCAN functional are available, for some
elements, at https://yaoyi92.github.io/scan-tm-pseudopotentials.html (the
same link as on QE PP page). Other than that you may need to generate the
PPs for yourself.
Claudio
On Sat, Jul 31, 2021 at 8:33 AM Soumendra Kumar Das <
