[Pw_forum] Building a chain

[Lucas Fernandez Seivane]

Hi friends of the list.

I amt trying to simulate a linear chain (single atom for the moment, and I
put the following input. I put the following input:

&system
ibrav= 14,
a=2.80, b=12, c=12,
cosab=0.0, cosbc=0.0,cosac=0.0

Is this correct? Since PWSCF takes advantages of yhe symmetries, I don't
know if I am doing 'the best' election for the ibrav.


Best wishes
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