Commit 060f2089 authored by Gregor Michalicek's avatar Gregor Michalicek

Fix bug in optional/plotdop.f90.

Now loading the density should work.
parent 6cb653df
...@@ -32,6 +32,7 @@ ...@@ -32,6 +32,7 @@
USE m_outcdn USE m_outcdn
USE m_loddop USE m_loddop
USE m_xsf_io USE m_xsf_io
USE m_cdn_io
IMPLICIT NONE IMPLICIT NONE
! .. ! ..
! .. Scalar Arguments .. ! .. Scalar Arguments ..
...@@ -49,15 +50,16 @@ ...@@ -49,15 +50,16 @@
CHARACTER(len=10), INTENT (IN) :: cdnfname CHARACTER(len=10), INTENT (IN) :: cdnfname
! .. Local Scalars .. ! .. Local Scalars ..
REAL :: s,tec,qint,xdnout REAL :: s,tec,qint,xdnout,fermiEnergyTemp
INTEGER :: i,i1,i2,i3,ii3,ix,iy,iz,jsp,na,nplo INTEGER :: i,i1,i2,i3,ii3,ix,iy,iz,jsp,na,nplo
INTEGER :: nplot,nq,nt,jm,jspin,iter,ii1,ii2 INTEGER :: nplot,nq,nt,jm,jspin,iter,ii1,ii2
LOGICAL :: twodim,oldform,newform LOGICAL :: twodim,oldform,newform,l_qfix
! .. ! ..
! .. Local Arrays .. ! .. Local Arrays ..
COMPLEX :: qpw(stars%ng3,input%jspins),rhtxy(vacuum%nmzxyd,stars%ng2-1,2,input%jspins) COMPLEX :: qpw(stars%ng3,input%jspins),rhtxy(vacuum%nmzxyd,stars%ng2-1,2,input%jspins)
REAL :: rho(atoms%jmtd,0:sphhar%nlhd,atoms%ntype,input%jspins),rht(vacuum%nmzd,2,input%jspins) REAL :: rho(atoms%jmtd,0:sphhar%nlhd,atoms%ntype,input%jspins),rht(vacuum%nmzd,2,input%jspins)
REAL :: pt(3),vec1(3),vec2(3),vec3(3),zero(3) REAL :: pt(3),vec1(3),vec2(3),vec3(3),zero(3)
COMPLEX :: cdom(1),cdomvz(1,1),cdomvxy(1,1,1)
INTEGER :: grid(3) INTEGER :: grid(3)
LOGICAL :: cartesian,xsf LOGICAL :: cartesian,xsf
REAL :: rhocc(atoms%jmtd) REAL :: rhocc(atoms%jmtd)
...@@ -99,11 +101,18 @@ ...@@ -99,11 +101,18 @@
! new input ! new input
!<-- Open the charge/potential file !<-- Open the charge/potential file
OPEN (20,file = cdnfname,form='unformatted',status='old') IF(TRIM(ADJUSTL(cdnfname)).EQ.'cdn1') THEN
CALL loddop(& CALL readDensity(stars,vacuum,atoms,cell,sphhar,input,sym,oneD,CDN_ARCHIVE_TYPE_CDN1_const,&
& stars,vacuum,atoms,sphhar,input,sym,& CDN_INPUT_DEN_const,0,fermiEnergyTemp,l_qfix,iter,rho,qpw,rht,rhtxy,cdom,cdomvz,cdomvxy)
& 20,& ELSE IF(TRIM(ADJUSTL(cdnfname)).EQ.'cdn') THEN
& iter,rho,qpw,rht,rhtxy) CALL readDensity(stars,vacuum,atoms,cell,sphhar,input,sym,oneD,CDN_ARCHIVE_TYPE_CDN_const,&
CDN_INPUT_DEN_const,0,fermiEnergyTemp,l_qfix,iter,rho,qpw,rht,rhtxy,cdom,cdomvz,cdomvxy)
ELSE
OPEN(20,file = cdnfname,form='unformatted',status='old')
CALL loddop(stars,vacuum,atoms,sphhar,input,sym,20,&
iter,rho,qpw,rht,rhtxy)
CLOSE(20)
END IF
!<--Perhaps only the core charge should be plotted !<--Perhaps only the core charge should be plotted
IF (input%score) THEN IF (input%score) THEN
OPEN (17,file='cdnc',form='unformatted',status='old') OPEN (17,file='cdnc',form='unformatted',status='old')
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment