[Pw_forum] Example07

Amit Kumar amit76.india at gmail.com
Fri Mar 9 13:41:02 CET 2007

 Dear  chen_shao_hua197 at yahoo.com.tw,

 Please perform a search in the pwscf
just typing  'Malgorzata'.
 You will get the answer of your question (More specifically,
 check the 3rd Message).


Dear members,
I had run example07 of the QE-3.2 version well.
For some reason,I changed the setting  in al.elph.in

nq1=10, nq2=10, nq3=6

then I got the error message below:

    from elphsum : error #         3
    q is not a vector in the dense grid


Although I know it comes from PH/elphon.f90,
I still can not find out what the constraint or rule
is about nq1,2,3 related to its k-point setting in
scf.in ?

I mean why nq1=4, nq2=4, nq3=4 is fine ,but 10,10,6
fail ?
Is it relative to  k-point setting 8x8x8 in scf.in ?
What other setting  could we choose ?

Best Regards
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