[gpaw-users] Codes from Monkhorst-Pack Grids to Gamma Centered k sampling?

[Suyu Fu]

Dear Colleagues,

   I'm a postdoc at Arizona State university. I'm a new user on DFT
calculation and have some questions regarding the use of k points. I'd
appreciate it if anyone could offer kind help.

   I typically use *Monkhorst-Pack k-point* Grids for calculating a mineral
with the code of "kpts={'size': (8,8,12)} ".  Recently, I needed to
calculate  a hexagonal-structured phase with magnetism. I'm thinking about
using* Gamma Centered k* sampling, that may be more efficient and provide
more precision. *I'm wondering how I should revise the code her*e? I looked
it up on the GPAW website, it shows I can revise the code to be "kpts={'size':
(8,8,12), 'gamma': True} " for a *shifted Monkhorst-Pack.* I'm not sure if
that is really what I need.

    Thanks for taking your time.

Best,
Suyu
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