Commit bb1a6d24 authored by hpclab97's avatar hpclab97

Modified calculation of phase-factors in hsmt_sph

parent 7aaa4e76
This diff is collapsed.
......@@ -371,10 +371,12 @@ CONTAINS
INTEGER:: k
REAL:: th
!$OMP PARALLEL DO PRIVATE(k,th) SHARED(tau,cph,lapw,iintsp,qss) DEFAULT(none)
DO k = 1,lapw%nv(iintsp)
th= DOT_PRODUCT(lapw%gvec(:,k,iintsp)+(iintsp-1.5)*qss,tau)
cph(k) = CMPLX(COS(tpi_const*th),-SIN(tpi_const*th))
END DO
!$OMP END PARALLEL DO
END SUBROUTINE lapw_phase_factors
......@@ -426,6 +428,7 @@ CONTAINS
ENDIF
!---> set up phase factors
!$OMP PARALLEL DO PRIVATE(k,th) SHARED(rph,cph)
DO k = 1,lapw%nv(iintsp)
th= tpi_const*DOT_PRODUCT((/lapw%k1(k,iintsp),lapw%k2(k,iintsp),lapw%k3(k,iintsp)/)+qssbti,atoms%taual(:,na))
rph(k,iintsp) = COS(th)
......
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