Commit 65aebb42 authored by Gregor Michalicek's avatar Gregor Michalicek

Removed several bugs from eigen/vec_for_lo.f90

Also in this commit: Introduction of a larger threshold in vec_for_lo
as it was done by Christoph Friedrich in the old Fleur version
I was comparing with.
parent 2d1cbdc9
......@@ -53,9 +53,9 @@ CONTAINS
! ..
! .. Data statements ..
REAL, PARAMETER :: eps = 1.0E-30
REAL, PARAMETER :: linindq = 1.0e-7
REAL, PARAMETER :: linindq = 1.0e-4
ntyp = n
DO iintsp = 1,nintsp
IF (iintsp.EQ.1) THEN
......@@ -66,7 +66,7 @@ CONTAINS
!---> set up phase factors
DO k = 1,lapw%nv(iintsp)
th= tpi_const*DOT_PRODUCT((/lapw%k1(k,iintsp),lapw%k1(k,iintsp),lapw%k1(k,iintsp)/)+qssbti,atoms%taual(:,na))
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)
cph(k,iintsp) = -SIN(th)
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