Commit 91bf425f authored by Gregor Michalicek's avatar Gregor Michalicek

Some modifications to the Wannier code to reduce the amount of linker errors

parent 7417ad68
set(fleur_F77 ${fleur_F77}
wannier/abcof_small.F
wannier/eulerrot.f
wannier/w90kpunktgen.f
#wannier/w90kpunktgen.f
wannier/wann_1dvacabcof.F
wannier/wann_2dvacabcof.F
wannier/wann_abinv.f
......
......@@ -3,7 +3,7 @@ wannier/uhu/d2fdz2cmplx.F
wannier/uhu/d2fdz2.F
wannier/uhu/dujdr.F
wannier/uhu/wann_uHu_commat.f
wannier/uhu/wann_uHu_commat_save.f
#wannier/uhu/wann_uHu_commat_save.f
wannier/uhu/wann_uHu_dmi.F
wannier/uhu/wann_uHu.F
wannier/uhu/wann_uHu_int2.F
......
......@@ -28,12 +28,12 @@ c*****************************************c
USE m_constants
USE m_wann_uHu_soc_tlo
USE m_types
USE m_anglso
IMPLICIT NONE
REAL :: sgml
COMPLEX :: anglso
EXTERNAL sgml,anglso
EXTERNAL sgml
C .. Intrinsic Functions ..
INTRINSIC abs,cmplx,max,mod
......
......@@ -18,10 +18,13 @@ c***************************************c
> ico,k1,k2,k3,k1_b,k2_b,k3_b,jspd,nvd,nbasfcn,neigd,
> zMat,zMat_b,nv,nv_b,omtil,gb,gb2,sign2,uHu)
#include "cpp_double.h"
USE m_types
use m_constants, only : pimach
use m_intgr, only : intgz0
use m_d2fdz2cmplx
USE m_vacuz
USE m_vacudz
implicit none
......@@ -85,9 +88,6 @@ c complex :: tuu,tud,tdu,tdd
c ..intrinsic functions..
intrinsic aimag,cmplx,conjg,real,sqrt
c.. external functions
external vacudz,vacuz
allocate ( ac(nv2d,nslibd),bc(nv2d,nslibd),
+ ac_b(nv2d,nslibd_b),bc_b(nv2d,nslibd_b),
+ dt(nv2d),dte(nv2d),t(nv2d),te(nv2d),
......
......@@ -17,6 +17,8 @@ c********************************************************
<ac,bc,u,ue,addnoco,l_ss,qss,jspin)
USE m_types
USE m_vacuz
USE m_vacudz
implicit none
......
......@@ -24,7 +24,10 @@ c***************************************************************
< mmn)
USE m_types
use m_constants, only : pimach
use m_constants
USE m_vacuz
USE m_vacudz
implicit none
TYPE(t_zmat), INTENT(IN) :: zMat
......@@ -68,9 +71,6 @@ c ..local scalars..
c ..intrinsic functions..
intrinsic aimag,cmplx,conjg,real,sqrt
c.. external functions
external vacudz,vacuz
allocate ( ac(nv2d,neigd),bc(nv2d,neigd),dt(nv2d),
+ dte(nv2d),t(nv2d),te(nv2d),tei(nv2d),
+ u(nmzd,nv2d),ue(nmzd,nv2d),
......@@ -137,9 +137,9 @@ c.. the body of the routine
v(2) = bkpt(2) + kvac2(ik) + qss2
v(3) = 0.
ev = evacp - 0.5*dot_product(v,matmul(bbmat,v))
call vacuz(ev,vz(1,ivac),vz0(ivac),nmz,delz,t(ik),dt(ik),
call vacuz(ev,vz(1:,ivac),vz0(ivac),nmz,delz,t(ik),dt(ik),
+ u(1,ik))
call vacudz(ev,vz(1,ivac),vz0(ivac),nmz,delz,te(ik),
call vacudz(ev,vz(1:,ivac),vz0(ivac),nmz,delz,te(ik),
+ dte(ik),tei(ik),ue(1,ik),dt(ik),
+ u(1,ik))
scale = wronk/ (te(ik)*dt(ik)-dte(ik)*t(ik))
......
......@@ -25,8 +25,11 @@ c***************************************************************
< mmn)
USE m_types
use m_constants, only : pimach
use m_constants
use m_intgr, only : intgz0
USE m_vacuz
USE m_vacudz
implicit none
TYPE(t_zmat), INTENT(IN) :: zMat, zMat_b
......@@ -76,11 +79,6 @@ c ..local scalars..
c ..intrinsic functions..
intrinsic aimag,cmplx,conjg,real,sqrt
c.. external functions
external vacudz,vacuz
c real dotirp
c external dotirp ! module now
allocate ( ac(nv2d,nslibd),bc(nv2d,nslibd),
+ ac_b(nv2d,nslibd_b),bc_b(nv2d,nslibd_b),
+ dt(nv2d),dte(nv2d),t(nv2d),te(nv2d),
......
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