[Pw_forum] error reading k point # 1
Alwaleed Adllan
waleed_abusin at hotmail.com
Mon Dec 7 13:19:06 CET 2015
Dear quantum espresso userI'm running phonon calculation for bulk graphene C6 in Hexagonal structure all calculation done except plotband.x makes error
error reading k_point # 1
I change the K_point many time put still I have this error
# phonon calculation on a (444) uniform grid of q-pointscat > C6.ph.in << EOFphonons of C6 &inputph tr2_ph=1.0d-10, prefix='C6', ldisp=.true., nq1=2, nq2=2, nq3=1 amass(1)=12.0107, outdir='$TMP_DIR/', fildyn='C6.dyn', /EOF$ECHO " running the phonon calculation ...\c"$PH_COMMAND <C6.ph.in > C6.ph.out
$ECHO " transforming C(q) => C(R)...\c"$Q2R_COMMAND < q2r.in > q2r.outcheck_failure $?$ECHO " done"
cat > matdyn.in <<EOF &input asr='simple', amass(1)=12.0107, flfrc='C6444.fc', flfrq='C6.freq',q_in_band_form=.true./ 5 0.0000 0.0000 0.0000 40 0.5000 0.0000 0.0000 40 0.6667 0.3333 0.0000 40 0.0000 0.0000 0.0000 40 0.5000 0.0000 0.5000 40EOF
$ECHO " recalculating omega(q) from C(R)...\c"#plot bandcat > plotband.in <<EOFC6.freq0 1500freq.plotfreq.ps0.050 0.0EOF
thanks in advance
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