Hi
I want to ask a question when I calculate the band structrue whether I must keep the external pressure=0.If external pressure is not 0, the result is not correct?
Thanks
hhe
about band structure
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about band structure
it depends if you want to calculate the bands structure at the ground state or for a system under external pressure.
Last edited by admin on Tue Aug 08, 2006 1:54 pm, edited 1 time in total.