Commit ed1d3b11 authored by Gregor Michalicek's avatar Gregor Michalicek

Add den parameter to inpgen kpts namelist to set value for denX, denY, denZ if they are 0.0

parent 97f193ae
......@@ -26,7 +26,7 @@
CHARACTER(len=xl_buffer) :: buffer
INTEGER iflag,div1,div2,div3,nline,nbuffer,ios
REAL denX, denY, denZ
REAL den, denX, denY, denZ
LOGICAL h_film,h_comp,h_exco,h_kpt,fatalerror,relxc
CHARACTER(len=4) :: xctyp
......@@ -35,7 +35,7 @@
& gmax, gmaxxc, kmax
NAMELIST /exco/ xctyp, relxc
NAMELIST /film/ dvac, dtild
NAMELIST /kpt/ nkpt,div1,div2,div3,tkb,tria,denX,denY,denZ
NAMELIST /kpt/ nkpt,div1,div2,div3,tkb,tria,den,denX,denY,denZ
h_film=.false. ; h_comp=.false.
......@@ -124,10 +124,16 @@
div1 = 0 ; div2 = 0 ; div3 = 0
denX = 0.0 ; denY = 0.0 ; denZ = 0.0
den = 0.0
READ (bfh,kpt,err=912, end=912, iostat=ios)
h_kpt=.true.
div(1) = div1 ; div(2) = div2 ; div(3) = div3
IF (den.NE.0.0) THEN
IF (denX.EQ.0.0) denX = den
IF (denY.EQ.0.0) denY = den
IF (denZ.EQ.0.0) denZ = den
END IF
kPointDensity(1) = denX
kPointDensity(2) = denY
kPointDensity(3) = denZ
......
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