Add by default unfoldingBand XML element to inp.xml

inpgen/set_inp.f90

@@ -136,7 +136,7 @@
       atoms%ulo_der = 0
       ch_rw = 'w'
       sym%namgrp= 'any ' 
-      banddos%dos   = .false. ; banddos%l_mcd = .false. ; banddos%unfoldband = .FALSE. ; input%secvar = .false.
+      banddos%dos   = .false. ; banddos%l_mcd = .false. ; input%secvar = .false.
       input%vchk = .false. ; input%cdinf = .false. 
       input%l_bmt= .false. ; input%eonly  = .false.
       input%gauss= .false. ; input%tria  = .false. 
@@ -164,6 +164,7 @@
       input%ldauLinMix = .FALSE. ; input%ldauMixParam = 0.05 ; input%ldauSpinf = 1.0
       input%l_wann = .FALSE.
       input%numBandsKPoints = 240
+      banddos%unfoldband = .FALSE. ; banddos%s_cell_x = 1 ; banddos%s_cell_y = 1 ; banddos%s_cell_z = 1
 
 !+odim
       oneD%odd%mb = 0 ; oneD%odd%M = 0 ; oneD%odd%m_cyl = 0 ; oneD%odd%chi = 0 ; oneD%odd%rot = 0

io/w_inpXML.f90

@@ -665,6 +665,10 @@ SUBROUTINE w_inpXML(&
    390 FORMAT('      <vacuumDOS layers="',i0,'" integ="',l1,'" star="',l1,'" nstars="',i0,'" locx1="',f0.5,'" locy1="',f0.5,'" locx2="',f0.5,'" locy2="',f0.5,'" nstm="',i0,'" tworkf="',f0.5,'"/>')
    WRITE (fileNum,390) vacuum%layers,input%integ,vacuum%starcoeff,vacuum%nstars,vacuum%locx(1),vacuum%locy(1),vacuum%locx(2),vacuum%locy(2),vacuum%nstm,vacuum%tworkf
 
+!      <unfoldingBand unfoldBand="F" supercellX="1" supercellY="1" supercellZ="1"/>
+   395 FORMAT('      <unfoldingBand unfoldBand="',l1,'" supercellX="',i0,'" supercellY="',i0,'" supercellZ="',i0,'"/>')
+   WRITE (fileNum,395) banddos%unfoldband, banddos%s_cell_x, banddos%s_cell_y, banddos%s_cell_z
+
 !      <plotting iplot="F" score="F" plplot="F"/>
    400 FORMAT('      <plotting iplot="',l1,'" score="',l1,'" plplot="',l1,'"/>')
    WRITE (fileNum,400) sliceplot%iplot,input%score,sliceplot%plpot

main/fleur_init.F90

@@ -163,7 +163,11 @@
           banddos%l_mcd = .FALSE.
           banddos%e_mcd_lo = -10.0
           banddos%e_mcd_up = 0.0
+
           banddos%unfoldband = .FALSE.
+          banddos%s_cell_x = 1
+          banddos%s_cell_y = 1
+          banddos%s_cell_z = 1
 
           noco%l_mtNocoPot = .FALSE.