[QE-users] a query on weights of k-points

Михаил Петров petrovichml at list.ru
Mon Jul 22 09:41:21 CEST 2019


Dear users,

I am calculating a 1D system (stripe) and I have a problem calculating its DOS.
There is exactly 2 times difference between DOS calculated with my own script and the one that I get from the dos.x.
I have noticed that in my scf/nscf out files the weights of all the k-points involved add up not to 1 but to 2 and maybe that is where the trouble is. 
Is that ok that weights add up not to one?
I added nscf.out file just in case. 

Best regards, Mikhail 



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