[Pw_forum] q2r.x to calculate force constant,erors hapenned
shoutian sun
sunshoutian168 at yahoo.com.cn
Mon Oct 22 09:08:56 CEST 2007
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I set kpoints automatic 5 5 8 in self consistent
calculation,(pw.x)
and set np nq1=2, nq2=2, nq3=4 in the input file of ph.x
when i use q2r.x to calculate force constant,erors hapenned.
Could anyone of you tell me why?
Thank you so much.
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