Commit 2eb8c141 authored by Daniel Wortmann's avatar Daniel Wortmann

Updated

parent 75e26701
......@@ -3,6 +3,18 @@ curl -LO http://www.flapw.de/pm/uploads/binaries/stable/inpgen
chmod +x fleur
chmod +x inpgen
echo >inp_Si <<EOF
testtext
cat <<EOF >inp_Si
alpha Si
&input film=f /
&lattice latsys=cF a0=2.67247737973 a=3.86709 /
2
14 0.125 0.125 0.125
14 -0.125 -0.125 -0.125
&atom element="Si" rmt=2.1 jri=981 lmax=12 lnonsph=6 /
&comp kmax=5.0 gmaxxc=12.5 gmax=15.0 /
&kpt div1=17 div2=17 div3=17 tkb=0.0005 /
EOF
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