diff --git a/cdn/cdnval.F90 b/cdn/cdnval.F90 index ea66080ebd880238097d989834ef9c643555ffeb..64cd546a83413fdb48dae258501d80f097f6e088 100644 --- a/cdn/cdnval.F90 +++ b/cdn/cdnval.F90 @@ -171,9 +171,7 @@ CONTAINS INTEGER :: nkpt_extended l_real = sym%invs.AND.(.NOT.noco%l_soc).AND.(.NOT.noco%l_noco) - zmat%l_real=sym%invs.AND.(.NOT.noco%l_soc).AND.(.NOT.noco%l_noco) - ! .. - ! .. + llpd=(atoms%lmaxd*(atoms%lmaxd+3))/2 !---> l_fmpl is meant as a switch to to a plot of the full magnet. !---> density without the atomic sphere approximation for the magnet. @@ -417,7 +415,7 @@ CONTAINS END IF END IF - nbasfcn = MERGE(zMat%nbasfcn+lapw%nv(2),lapw%nv(1),noco%l_noco)+atoms%nlotot + nbasfcn = MERGE(lapw%nv(1)+lapw%nv(2)+2*atoms%nlotot,lapw%nv(1)+atoms%nlotot,noco%l_noco) CALL zMat%init(l_real,nbasfcn,dimension%neigd) CALL cdn_read(eig_id,dimension%nvd,dimension%jspd,mpi%irank,mpi%isize,& ikpt,jspin,zmat%nbasfcn,noco%l_ss,noco%l_noco,&