Minor modifications in Wannier part

CwannXML test still does not work. But the results are very near to the target.

tests/tests/CwannXML/files/inp.xml

@@ -4,7 +4,7 @@
       unnamed project                                                                 
    </comment>
    <calculationSetup>
-      <cutoffs Kmax="4.00000000" Gmax="13.79155315" GmaxXC="11.60000000" numbands="0"/>
+      <cutoffs Kmax="4.00000000" Gmax="13.90" GmaxXC="11.60000000" numbands="8"/>
       <scfLoop itmax="1" minDistance=".00000000" maxIterBroyd="99" imix="Anderson" alpha=".05000000" spinf="2.00000000"/>
       <coreElectrons ctail="T" frcor="F" kcrel="0" coretail_lmax="99"/>
       <magnetism jspins="1" l_noco="F" l_J="F" swsp="F" lflip="F"/>

tests/tests/CwannXML/files/wann_inp-1.xml

@@ -4,7 +4,7 @@
       unnamed project                                                                 
    </comment>
    <calculationSetup>
-      <cutoffs Kmax="4.00000000" Gmax="13.79155315" GmaxXC="11.60000000" numbands="0"/>
+      <cutoffs Kmax="4.00000000" Gmax="13.90" GmaxXC="11.60000000" numbands="8"/>
       <scfLoop itmax="1" minDistance=".00000000" maxIterBroyd="99" imix="Anderson" alpha=".05000000" spinf="2.00000000"/>
       <coreElectrons ctail="T" frcor="F" kcrel="0" coretail_lmax="99"/>
       <magnetism jspins="1" l_noco="F" l_J="F" swsp="F" lflip="F"/>

tests/tests/CwannXML/files/wann_inp-2.xml

@@ -4,7 +4,7 @@
       unnamed project                                                                 
    </comment>
    <calculationSetup>
-      <cutoffs Kmax="4.00000000" Gmax="13.79155315" GmaxXC="11.60000000" numbands="0"/>
+      <cutoffs Kmax="4.00000000" Gmax="13.90" GmaxXC="11.60000000" numbands="8"/>
       <scfLoop itmax="1" minDistance=".00000000" maxIterBroyd="99" imix="Anderson" alpha=".05000000" spinf="2.00000000"/>
       <coreElectrons ctail="T" frcor="F" kcrel="0" coretail_lmax="99"/>
       <magnetism jspins="1" l_noco="F" l_J="F" swsp="F" lflip="F"/>

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

wannier/wann_read_inp.f90

@@ -575,6 +575,13 @@ subroutine wann_read_inp(input,l_p0,wann)
          endif
       enddo
 
+      IF (wann%l_byindex.EQ..TRUE.) 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