Commit c2c4484c authored by Gregor Michalicek's avatar Gregor Michalicek

Write out vacuum energy parameters to inp.xml

parent 36e66f65
......@@ -60,7 +60,6 @@
INTEGER iggachk
INTEGER n ,iostat, errorStatus, numSpecies
REAL scale,scpos ,zc
REAL ello0(atoms%nlod,atoms%ntype),evac0(2)
TYPE(t_banddos)::banddos
TYPE(t_obsolete)::obsolete
......@@ -369,6 +368,12 @@
ENDIF
ENDIF
! set vacuum%nvac and vacuum energy parameters
vacuum%nvac = 2
IF (sym%zrfs.OR.sym%invs) vacuum%nvac = 1
IF (oneD%odd%d1) vacuum%nvac = 1
IF(.NOT.juDFT_was_argument("-noXML")) THEN
nkptOld = kpts%nkpt
latnamTemp = cell%latnam
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment