Commit 2b91d79b authored by Gregor Michalicek's avatar Gregor Michalicek

Correct group hierarchy in eig_gw.hdf

...it was messed up in one of the last fixes in io/writeBasis.F90
parent fbb1330e
......@@ -457,10 +457,10 @@ SUBROUTINE writeBasis(input,noco,kpts,atoms,sym,cell,enpara,vTot,vCoul,vx,mpi,DI
IF(abs(bk(2)).LT.1e-7) bk(2) = abs(bk(2))
IF(abs(bk(3)).LT.1e-7) bk(3) = abs(bk(3))
!write(kpt_name , '(2a,i0)') TRIM(ADJUSTL(jsp_name)),'/kpt_',nk
write(kpt_name , '(a,f12.10,a,f12.10,a,f12.10)') '/kpt_',bk(1),',',bk(2),',',bk(3)
CALL h5lexists_f(jspGroupID, TRIM(ADJUSTL(kpt_name)), link_exists, hdfError)
write(kpt_name , '(2a,f12.10,a,f12.10,a,f12.10)') TRIM(ADJUSTL(jsp_name)),'/kpt_',bk(1),',',bk(2),',',bk(3)
CALL h5lexists_f(fileID, TRIM(ADJUSTL(kpt_name)), link_exists, hdfError)
IF (link_exists) CYCLE
CALL h5gcreate_f(jspGroupID, TRIM(ADJUSTL(kpt_name)), kptGroupID, hdfError)
CALL h5gcreate_f(fileID, TRIM(ADJUSTL(kpt_name)), kptGroupID, hdfError)
!--------------------abcoff, zmat, eig output here-------------------
!,results%neig(nk,jsp),results%eig(:,nk,jsp)
numbands=results%neig(nk,jsp)
......
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