Commit d519c3a2 authored by Gregor Michalicek's avatar Gregor Michalicek

Added missing potential IO wrapper to eigen_soc/eigenso.f90.

parent 165a8eae
...@@ -7,7 +7,7 @@ MODULE m_eigenso ...@@ -7,7 +7,7 @@ MODULE m_eigenso
! way: takes e.v. and e.f. from previous scalar-rel. calc. ! way: takes e.v. and e.f. from previous scalar-rel. calc.
! makes spin-orbit matrix elements solves e.v. and put it on 'eig' ! makes spin-orbit matrix elements solves e.v. and put it on 'eig'
! !
! Tree: eigenso-|- loddop ! Tree: eigenso-|- readPotential
! |- spnorb : sets up s-o parameters ! |- spnorb : sets up s-o parameters
! | |- soinit - sorad : radial part ! | |- soinit - sorad : radial part
! | |- sgml : diagonal angular parts ! | |- sgml : diagonal angular parts
...@@ -26,7 +26,7 @@ CONTAINS ...@@ -26,7 +26,7 @@ CONTAINS
USE m_eig66_io, ONLY : read_eig,write_eig USE m_eig66_io, ONLY : read_eig,write_eig
USE m_spnorb USE m_spnorb
USE m_alineso USE m_alineso
USE m_loddop USE m_pot_io
USE m_types USE m_types
IMPLICIT NONE IMPLICIT NONE
...@@ -83,18 +83,13 @@ CONTAINS ...@@ -83,18 +83,13 @@ CONTAINS
! now the definition of rotation matrices ! now the definition of rotation matrices
! is equivalent to the def in the noco-routines ! is equivalent to the def in the noco-routines
! !
! load potential from file pottot (=unit 8) ! load potential by calling readPotential.
! !
ALLOCATE ( vz(vacuum%nmzd,2,DIMENSION%jspd),vr(atoms%jmtd,0:sphhar%nlhd,atoms%ntype,DIMENSION%jspd),& ALLOCATE ( vz(vacuum%nmzd,2,DIMENSION%jspd),vr(atoms%jmtd,0:sphhar%nlhd,atoms%ntype,DIMENSION%jspd),&
vzxy(vacuum%nmzxyd,oneD%odi%n2d-1,2,DIMENSION%jspd),vpw(stars%ng3,DIMENSION%jspd) ) vzxy(vacuum%nmzxyd,oneD%odi%n2d-1,2,DIMENSION%jspd),vpw(stars%ng3,DIMENSION%jspd) )
OPEN (8,file='pottot',form='unformatted',status='old') CALL readPotential(stars,vacuum,atoms,sphhar,input,sym,POT_ARCHIVE_TYPE_TOT_const,&
CALL loddop(& iter,vr,vpw,vz,vzxy)
stars,vacuum,atoms,sphhar,&
input,sym,&
8,&
iter,vr,vpw,vz,vzxy)
CLOSE(8)
DEALLOCATE ( vz,vzxy,vpw ) DEALLOCATE ( vz,vzxy,vpw )
......
...@@ -58,7 +58,7 @@ MODULE m_pot_io ...@@ -58,7 +58,7 @@ MODULE m_pot_io
REAL, INTENT (OUT) :: fr(atoms%jmtd,0:sphhar%nlhd,atoms%ntype,input%jspins), fz(vacuum%nmzd,2,input%jspins) REAL, INTENT (OUT) :: fr(atoms%jmtd,0:sphhar%nlhd,atoms%ntype,input%jspins), fz(vacuum%nmzd,2,input%jspins)
! local variables ! local variables
INTEGER :: mode, iUnit, i,j,k,l INTEGER :: mode, iUnit
LOGICAL :: l_exist LOGICAL :: l_exist
CHARACTER(len=30) :: filename CHARACTER(len=30) :: filename
......
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