diff --git a/io/r_inpXML.F90 b/io/r_inpXML.F90 index d8a96aae2c4e6474c92cbb361df8ea088ad252fc..cfa94b77db7fe90ff830b65c7b56e036495c5ece 100644 --- a/io/r_inpXML.F90 +++ b/io/r_inpXML.F90 @@ -1878,6 +1878,11 @@ SUBROUTINE r_inpXML(& wann%band_max(2) = wann%band_max(1) END IF wann%l_byindex = .TRUE. + IF(input%l_wann) THEN + IF (dimension%neigd.LT.MAX(wann%band_max(1),wann%band_max(2))) THEN + dimension%neigd = MAX(wann%band_max(1),wann%band_max(2)) + END IF + END IF END IF xPathA = '/fleurInput/output/wannier/jobList' diff --git a/tests/tests/CwannXML/files/inp.xml b/tests/tests/CwannXML/files/inp.xml index d8df29a45b70cb4c48fa153319cd91baafcb9080..4cb2bfb4a50e745e122b6309b123c3d93aaf6650 100644 --- a/tests/tests/CwannXML/files/inp.xml +++ b/tests/tests/CwannXML/files/inp.xml @@ -4,7 +4,7 @@ unnamed project - + @@ -16,7 +16,7 @@ - + diff --git a/tests/tests/CwannXML/files/wann_inp-1.xml b/tests/tests/CwannXML/files/wann_inp-1.xml index 0136237f4919bf1253f00bee751ab1d350a5badc..b782a0a106aea74c5ace4b4e6b0f3673793957b9 100644 --- a/tests/tests/CwannXML/files/wann_inp-1.xml +++ b/tests/tests/CwannXML/files/wann_inp-1.xml @@ -4,7 +4,7 @@ unnamed project - + diff --git a/tests/tests/CwannXML/files/wann_inp-2.xml b/tests/tests/CwannXML/files/wann_inp-2.xml index 9f60521f8382f86f7721b1bc47d5a2144afe014e..df1cbb4e60ce016165bcd97ded23c2ae81748233 100644 --- a/tests/tests/CwannXML/files/wann_inp-2.xml +++ b/tests/tests/CwannXML/files/wann_inp-2.xml @@ -4,7 +4,7 @@ unnamed project - + diff --git a/wannier/wann_get_kpts.f b/wannier/wann_get_kpts.f index 98aa7eeb925dca6e47624cd438fd2ea9c3a56a1e..b5d07671bc9f7cc96a509476eabda590f3784130 100644 --- a/wannier/wann_get_kpts.f +++ b/wannier/wann_get_kpts.f @@ -68,6 +68,7 @@ c******************************************************** close(987) ELSE nkpts = kpts%nkpt + write(6,*)"wann_get_kpts: nkpts=",nkpts if(l_readkpts)then do iter=1,nkpts kpoints(:,iter) = kpts%bk(:,iter) @@ -80,11 +81,13 @@ c******************************************************** kpoints=kpoints/scale if(film.and..not.l_onedimens)then kpoints(3,:)=0.0 - endif + endif + endif + IF (l_readkpts) THEN do iter=1,nkpts write(6,*)kpoints(:,iter) enddo - endif + END IF end subroutine wann_get_kpts end module m_wann_get_kpts diff --git a/wannier/wann_read_inp.f90 b/wannier/wann_read_inp.f90 index a10568a6a36a8a9607f89b0291e004852bd54c55..8f41cfbdaa9ff1b51a491951d29cd1759884742c 100644 --- a/wannier/wann_read_inp.f90 +++ b/wannier/wann_read_inp.f90 @@ -575,6 +575,13 @@ subroutine wann_read_inp(input,l_p0,wann) endif enddo + IF (wann%l_byindex) THEN + if(l_p0)write(6,*)"band_min1=",wann%band_min(1) + if(l_p0)write(6,*)"band_max1=",wann%band_max(1) + if(l_p0)write(6,*)"band_min2=",wann%band_min(2) + if(l_p0)write(6,*)"band_max2=",wann%band_max(2) + END IF + END IF ! l_file