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<DIV><FONT size=2>Dear all,</FONT></DIV>
<DIV><FONT size=2>I'm doing phonon dispersion now.</FONT></DIV>
<DIV><FONT size=2>And I have an big question about what do I put on the last
part of scf.in</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2> &control<BR> calculation
='scf'<BR> restart_mode ='from_scratch'<BR>
pseudo_dir
='/lustre/lwork/dyyang/bin/espresso-4.0.3/pseudo/'<BR> outdir
='./'<BR> prefix
='AuC'<BR> /<BR> &system<BR> ibrav
=4<BR> celldm(1)= 4.6514<BR> celldm(3)=
2.3000<BR> nat = 2<BR> ntyp =
1<BR> ecutwfc = 24.0<BR> ecutrho =
240.0<BR> occupations ='smearing'<BR>
degauss= 0.02<BR> /<BR> &electrons<BR>
diagonalization= 'david'<BR> conv_thr =
1.0d-12<BR> mixing_beta =
0.7<BR> /<BR>ATOMIC_SPECIES<BR> C 12.0107
C.pz-rrkjus.UPF<BR>ATOMIC_POSITIONS<BR>C
-0.083366564 0.977700685
0.5000000<BR>C 0.416699897
0.688965982 0.5000000<BR>K_POINTS<BR><FONT
color=#ff0000>10<BR> 0.1250000 0.1250000
0.1250000 1.00<BR> 0.1250000 0.1250000
0.3750000 3.00<BR> 0.1250000 0.1250000
0.6250000 3.00<BR> 0.1250000 0.1250000
0.8750000 3.00<BR> 0.1250000 0.3750000
0.3750000 3.00<BR> 0.1250000 0.3750000
0.6250000 6.00<BR> 0.1250000 0.3750000
0.8750000 6.00<BR> 0.1250000 0.6250000
0.6250000 3.00<BR> 0.3750000 0.3750000
0.3750000 1.00<BR> 0.3750000 0.3750000
0.6250000 3.00<BR></FONT></FONT></DIV>
<DIV><FONT size=2>Now I'm using the K_PONITS which examples applyed but the
result is still bad.</FONT></DIV>
<DIV><FONT size=2></FONT><FONT size=2>I think it's wrong to use example
k-ponits.</FONT></DIV>
<DIV><FONT size=2>but I still don't know what should I put on it.</FONT></DIV>
<DIV><FONT size=2>Please give me some suggestions. Thank you very
much.</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV>
<DIV><FONT size=2>--</FONT></DIV>
<DIV>
<DIV>
<DIV><FONT face=Arial size=2></FONT></DIV><FONT face=Arial size=2>Yu-Han
Ho</FONT></DIV>
<DIV>
<DIV><FONT face=Arial size=2>Research Assistant</FONT></DIV>
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