diff --git a/cmake/source_list_KKRhost.txt b/cmake/source_list_KKRhost.txt index f06264554b8aee2676d8816636276e3d61b117f1..a5db6c01541d289ce53a8225e5254be1e4388282 100644 --- a/cmake/source_list_KKRhost.txt +++ b/cmake/source_list_KKRhost.txt @@ -381,6 +381,7 @@ target_link_libraries(kkr.x lib_kkrhost) if(CMAKE_Fortran_COMPILER_ID MATCHES GNU) target_link_libraries(kkr.x ${lapackblas_libraries}) endif() +target_link_libraries(kkr.x "${ompflags}") if(ENABLE_BdG) # for wf testing (BdG) diff --git a/source/KKRhost/rhovalnew.F90 b/source/KKRhost/rhovalnew.F90 index 2f601480051365ddeb383e20401e9dbafc92e04f..ec94550143d7a532730f122e4f1e7b1bdd657bd0 100644 --- a/source/KKRhost/rhovalnew.F90 +++ b/source/KKRhost/rhovalnew.F90 @@ -971,29 +971,29 @@ contains allocate (rhonewtemp(irws,lmpotd), stat=i_stat) call memocc(i_stat, product(shape(rhonewtemp))*kind(rhonewtemp), 'RHONEWTEMP', 'RHOVALNEW') - open (131,file='rho2',form='formatted') - write(131,fmt='(A,I8)') '# ',irmdnew - do jspin = 1, nspin/(nspin-korbit)*(1+korbit) - do lm1 = 1, lmpotd - rsum = 0.0d0 - do ir = 1, irmdnew - rsum = rsum + abs(aimag(rho2nsc(ir, lm1, jspin))) - end do - if(rsum.gt.1.d-10) then - write(131,fmt='(A,I8)') '# ',lm1 - do ir = 1, irmdnew - if(abs(thetasnew(ir,1)).gt.1.d-6) then - write(131,*) rnew(ir),aimag(rho2nsc(ir, lm1, jspin))/rnew(ir)**2,aimag(rho2nsc(ir, lm1, jspin))/rnew(ir)**2*thetasnew(ir,1) - else - write(131,*) rnew(ir),aimag(rho2nsc(ir, lm1, jspin))/rnew(ir)**2,aimag(rho2nsc(ir, lm1, jspin))/rnew(ir)**2*3.544907701811032d0 - end if - end do - end if - end do - end do - lm1 =999999 - write(131,fmt='(A,I8)') '# ',lm1 - close (131) + !open (131,file='rho2',form='formatted') + !write(131,fmt='(A,I8)') '# ',irmdnew + !do jspin = 1, nspin/(nspin-korbit)*(1+korbit) + ! do lm1 = 1, lmpotd + ! rsum = 0.0d0 + ! do ir = 1, irmdnew + ! rsum = rsum + abs(aimag(rho2nsc(ir, lm1, jspin))) + ! end do + ! if(rsum.gt.1.d-10) then + ! write(131,fmt='(A,I8)') '# ',lm1 + ! do ir = 1, irmdnew + ! if(abs(thetasnew(ir,1)).gt.1.d-6) then + ! write(131,*) rnew(ir),aimag(rho2nsc(ir, lm1, jspin))/rnew(ir)**2,aimag(rho2nsc(ir, lm1, jspin))/rnew(ir)**2*thetasnew(ir,1) + ! else + ! write(131,*) rnew(ir),aimag(rho2nsc(ir, lm1, jspin))/rnew(ir)**2,aimag(rho2nsc(ir, lm1, jspin))/rnew(ir)**2*3.544907701811032d0 + ! end if + ! end do + ! end if + ! end do + !end do + !lm1 =999999 + !write(131,fmt='(A,I8)') '# ',lm1 + !close (131) do jspin = 1, nspin/(nspin-korbit)*(1+korbit) rhotemp = czero diff --git a/source/common/radial_solver_Chebychev/sll_global_solutions.F90 b/source/common/radial_solver_Chebychev/sll_global_solutions.F90 index 27dfa572edb18f9f172d5e72e87c62d2862cb32e..1831d121d6067b7295aae3eeda594916d6a039b7 100644 --- a/source/common/radial_solver_Chebychev/sll_global_solutions.F90 +++ b/source/common/radial_solver_Chebychev/sll_global_solutions.F90 @@ -306,7 +306,7 @@ contains end do end if - write(6,*) 'dllpmax',dllpmax,'iter_beta',iter_beta + !write(6,*) 'dllpmax',dllpmax,'iter_beta',iter_beta end do ! niter_beta