Commit acc6ebf5 authored by Gregor Michalicek's avatar Gregor Michalicek

Bugfix for zMat array size in io/writeBasis.F90

parent b45986ab
...@@ -484,7 +484,7 @@ SUBROUTINE writeBasis(input,noco,kpts,atoms,sym,cell,enpara,vTot,vCoul,vx,mpi,DI ...@@ -484,7 +484,7 @@ SUBROUTINE writeBasis(input,noco,kpts,atoms,sym,cell,enpara,vTot,vCoul,vx,mpi,DI
oneD%odi,oneD%ods,& oneD%odi,oneD%ods,&
eigVecCoeffs%acof(:,0:,:,jsp),eigVecCoeffs%bcof(:,0:,:,jsp),eigVecCoeffs%ccof(-atoms%llod:,:,:,:,jsp)) eigVecCoeffs%acof(:,0:,:,jsp),eigVecCoeffs%bcof(:,0:,:,jsp),eigVecCoeffs%ccof(-atoms%llod:,:,:,:,jsp))
!-------------------------for spex output: nbasfcn=nv(because lo info not needed) and numbands setting to numbands without highest (degenerat) state-------- !-------------------------for spex output: nbasfcn=nv(because lo info not needed) and numbands setting to numbands without highest (degenerat) state--------
nbasfcn=lapw%nv(jsp) ! nbasfcn= MERGE(lapw%nv(1)+lapw%nv(2)+2*atoms%nlotot,lapw%nv(1)+atoms%nlotot,noco%l_noco)
ndbands=numbands-1 ndbands=numbands-1
DO i=(numbands-1),1,-1 DO i=(numbands-1),1,-1
IF (abs(results%eig(i+1,nk,jsp)-results%eig(i,nk,jsp)).LT.0.000001) THEN IF (abs(results%eig(i+1,nk,jsp)-results%eig(i,nk,jsp)).LT.0.000001) THEN
......
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