Commit 027dc1bd authored by Gregor Michalicek's avatar Gregor Michalicek

Bugfix for last commit. (For GW calculations)

parent 7c62305a
......@@ -88,7 +88,6 @@ CONTAINS
LOGICAL l_wu,lcal_qsgw,l_file,l_real,l_zref
REAL evac_sv(dimension%jspd)
INTEGER ::eig_id_hf=-1
INTEGER :: nu=8
! ..
! .. Local Arrays ..
......@@ -239,9 +238,9 @@ CONTAINS
& 'Info: and stored in "vxc", the values obtained from the',&
& 'Info: original implementation are saved to "vxc.old".'
ENDIF
999 CONTINUE
CALL readPotential(stars,vacuum,atoms,sphhar,input,sym,POT_ARCHIVE_TYPE_TOT_const,&
iter,vr,vpw,vz,vzxy)
999 CONTINUE
IF (mpi%irank.EQ.0) CALL openXMLElementFormPoly('iteration',(/'numberForCurrentRun','overallNumber '/),(/it,iter/),&
reshape((/19,13,5,5/),(/2,2/)))
......@@ -619,7 +618,6 @@ endif
#endif
IF ( input%gw.eq.2.AND.(gwc==1) ) THEN ! go for another round
OPEN (nu,file='potcoul',form='unformatted',status='old')
!
! Generate input file abcoeff for subsequent GW calculation
! 28.10.2003 Arno Schindlmayr
......@@ -658,6 +656,8 @@ endif
ENDDO
CLOSE (16)
gwc=2
CALL readPotential(stars,vacuum,atoms,sphhar,input,sym,POT_ARCHIVE_TYPE_COUL_const,&
iter,vr,vpw,vz,vzxy)
GOTO 999
ELSE IF ( input%gw.eq.2.AND.(gwc==2) ) THEN
CLOSE (12)
......
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