Commit 3687da43 authored by Gregor Michalicek's avatar Gregor Michalicek

Write out stars%gmaxInit and not stars%gmax to inp.xml

parent 71a6204a
......@@ -340,6 +340,8 @@
& input%jspins,input%kcrel,obsolete%ndvgrd,kpts%nkpt,div,kpts%kPointDensity,&
& input%frcor,input%ctail,obsolete%chng,input%tria,input%rkmax,stars%gmax,xcpot%gmaxxc,&
& vacuum%dvac,dtild,input%tkb,namex,relcor)
stars%gmaxInit = stars%gmax
!
IF (input%film) atoms%taual(3,:) = atoms%taual(3,:) * a3(3) / dtild
......
......@@ -166,7 +166,7 @@ SUBROUTINE w_inpXML(&
! <cutoffs Kmax="3.60000" Gmax="11.000000" GmaxXC="9.200000" numbands="0"/>
110 FORMAT(' <cutoffs Kmax="',f0.8,'" Gmax="',f0.8,'" GmaxXC="',f0.8,'" numbands="',i0,'"/>')
WRITE (fileNum,110) input%rkmax,stars%gmax,xcpot%gmaxxc,input%gw_neigd
WRITE (fileNum,110) input%rkmax,stars%gmaxInit,xcpot%gmaxxc,input%gw_neigd
! <scfLoop itmax="9" maxIterBroyd="99" imix="Anderson" alpha="0.05" spinf="2.00"/>
120 FORMAT(' <scfLoop itmax="',i0,'" minDistance="',f0.8,'" maxIterBroyd="',i0,'" imix="',a,'" alpha="',f0.8,'" spinf="',f0.8,'"/>')
......
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