Commit 77df507d authored by Matthias Redies's avatar Matthias Redies

change mpi interface

parent 64322b1a
......@@ -398,7 +398,7 @@ CONTAINS
#endif
IF (mpi%irank==0) THEN
CALL cdnmt(input%jspins,atoms,sphhar,noco,jsp_start,jsp_end,&
CALL cdnmt(mpi, input%jspins,atoms,sphhar,noco,jsp_start,jsp_end,&
enpara,vTot%mt(:,0,:,:),denCoeffs,usdus,orb,denCoeffsOffdiag,moments,kinED%mt)
IF (l_coreSpec) CALL corespec_ddscs(jspin,input%jspins)
DO ispin = jsp_start,jsp_end
......@@ -429,10 +429,14 @@ CONTAINS
call zPrime%free()
call zPrime%init(zMat)
do basis_idx = 1,size(lapw%gvec,dim=2)
fac = kpt(dim_idx) + lapw%gvec(dim_idx,basis_idx,1)
zPrime%data_r(basis_idx,:) = fac * zPrime%data_r(basis_idx,:)
if(zPrime%l_real) then
zPrime%data_r(basis_idx,:) = fac * zPrime%data_r(basis_idx,:)
else
zPrime%data_c(basis_idx,:) = fac * zPrime%data_c(basis_idx,:)
endif
enddo
end subroutine set_zPrime
END MODULE m_metagga
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment