Commit 0da75c03 authored by Gregor Michalicek's avatar Gregor Michalicek

Corrected wrong value for gmax in inp_new.xml and inp_new

The problem only occured because stars%gamx is changed after it
is initialized. I therefore introduced an additional variable
gmaxInit in type t_stars.
parent d73af285
......@@ -238,6 +238,7 @@ CONTAINS
input_temp%l_f = input%l_f
input_temp%gw_neigd = dimension_temp%neigd
div(:) = MIN(kpts_temp%nmop(:),1)
stars_temp%gmax = stars_temp%gmaxInit
CALL w_inpXML(atoms_new,obsolete_temp,vacuum_temp,input_temp,stars_temp,sliceplot_temp,&
banddos_temp,cell_temp,sym_temp,xcpot_temp,noco_temp,jij_temp,oneD_temp,hybrid_temp,&
kpts_temp,kpts_temp%nmop,kpts_temp%l_gamma,noel_temp,namex_temp,relcor_temp,a1_temp,a2_temp,a3_temp,&
......
......@@ -327,6 +327,7 @@
!max-length of star
REAL :: gmax
REAL :: gmaxInit
!no of 3d-stars
!INTEGER :: nq3
INTEGER :: ng3
......
......@@ -326,6 +326,7 @@ SUBROUTINE r_inpXML(&
IF(numberNodes.EQ.1) THEN
xcpot%gmaxxc = evaluateFirstOnly(xmlGetAttributeValue(xPathA))
END IF
stars%gmaxInit = stars%gmax
xPathA = '/fleurInput/calculationSetup/cutoffs/@numbands'
numberNodes = xmlGetNumberOfNodes(xPathA)
......
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