Lines Matching refs:omat
28 COMPLEX(kind=DP), ALLOCATABLE :: omat(:,:),omatj(:),omatij(:,:) local
152 allocate(omat(ntot_e,ntot))
158 …',ntot_e,ntot,npol*npw_max,(1.d0,0.d0),wfc0,npol*npw_max,wfc1,npol*npw_max,(0.d0,0.d0),omat,ntot_e)
160 call mp_sum(omat,world_comm)
167 write(stdout,*) 'K POINT I J, ORTHONORMALITY CHECK: ', i,j, omat(i,j)
174 …call ZGEMM('N','N',npw_max*npol,ntot,ntot_e,(-1.d0,0.d0),wfc0,npw_max*npol,omat,ntot_e,(1.d0,0.d0)…
186 …',ntot_e,ntot,npol*npw_max,(1.d0,0.d0),wfc0,npol*npw_max,wfc1,npol*npw_max,(0.d0,0.d0),omat,ntot_e)
188 call mp_sum(omat,world_comm)
195 write(stdout,*) 'K POINT I J, ORTHONORMALITY CHECK2: ', i,j, omat(i,j)
204 deallocate(omat)
229 allocate(omat(ntot_e,ntot_e))
230 …ntot_e,ntot_e,npol*npw_max,(1.d0,0.d0),wfc0,npol*npw_max,wfc0,npol*npw_max,(0.d0,0.d0),omat,ntot_e)
231 call mp_sum(omat,world_comm)
235 write(stdout,*) 'ORTHONORMALITY :', ik, omat(ii,jj)
238 deallocate(omat)
271 allocate(omat(ntot_e,ntot))
291 …,ntot_e,ntot,npol*npw_max,(1.d0,0.d0),wfc_e,npol*npw_max,wfc1,npol*npw_max,(0.d0,0.d0),omat,ntot_e)
293 call mp_sum(omat,world_comm)
299 … call ZGEMM('C','N',ntot,ntot,ntot_e,(1.d0,0.d0),omat,ntot_e,omat,ntot_e,(0.d0,0.d0),zmat,ntot)
311 write(iun) omat(1:ntot_e,i)
395 … wfc_e_tmp1(1:npw_max*npol)=wfc_e_tmp1(1:npw_max*npol)+wfc_e(1:npw_max*npol,kk)*omat(kk,ii)
405 … wfc_e_tmp2(1:npw_max*npol)= wfc_e_tmp2(1:npw_max*npol)+wfc_e(1:npw_max*npol,kk)*omat(kk,jj)
513 deallocate(omat)