[Pw_forum] a question about phonon calculation
胡朝浩
chaohao2002 at 163.com
Mon Jul 25 11:59:53 CEST 2005
Dear pwscf users,
I want to ask you a question about phonon calculation.In my calculations, if I add lines described as below, I can get the phonon frequences at the wave vector q (0.5,0.5,0.5)
=======
&phonon
xqq(1) = 0.50, xqq(2) = 0.50, xqq(3) = 0.50
/
=======
But I want to get the phonon disperson curve over entire phonon wave vectors q, how do I set these wave vectors in my input files? Please help me kindly.
Thanks in advance.
Best regards,
Chaohao
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