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L=16 | |
omegamax=3.15 | |
omegaim=0.1 | |
output="spectrum-L${L}.dat" | |
MPIEXEC="mpiexec -np 2" | |
HPHI=HPhi | |
cat << PARAM > gs.in | |
model = "spin" | |
method = "cg" | |
lattice = "chain lattice" | |
2S = 1 | |
2Sz = 0 | |
J = 1 | |
L = $L | |
PARAM | |
cp gs.in exc.in.org | |
echo 'EigenvecIO = "out"' >> gs.in | |
$MPIEXEC $HPHI -s gs.in | |
cat << PARAM >> exc.in.org | |
LanczosEPS = 8 | |
CalcSpec = "Normal" | |
SpectrumType = "SzSz" | |
OmegaMin = 0.0 | |
OmegaMax = $omegamax | |
OmegaIM = $omegaim | |
PARAM | |
ge=$(gawk '$1~/Energy/ {print $2}' output/zvo_energy.dat) | |
rm -f $output | |
L2=$(echo "$L / 2" | bc) | |
for iq in `seq 0 $L2`; do | |
cp exc.in.org exc.in | |
q=$(echo "$iq/$L" | bc -l) | |
echo "spectrumQL = $q" >> exc.in | |
$MPIEXEC $HPHI -sdry exc.in | |
gsed -i "" "s/OmegaOrg[ \t]\+0.0/OmegaOrg $ge/" modpara.def | |
$MPIEXEC $HPHI -e namelist.def | |
gawk --assign=q=$q '{print q, $1, $3, $4}' output/zvo_DynamicalGreen.dat >> $output | |
done |
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