GW calculations one k point at a time?

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GW calculations one k point at a time?

Postby wxiaom86 » Fri Jul 13, 2018 1:53 am

Hello,

I am wondering if it is possible to separate the GW calculations to several parts with each handling one k point. After done the calculations k point by k point, the GW band energies can be collected on the full mesh. This could help once the job time is quite limited especially on typical supercomputers.

Best,
Xiaoming
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