[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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