[QE-users] Gamma Point

Lorenzo Paulatto paulatz at gmail.com
Thu Jul 2 08:50:57 CEST 2020


Hello Felipe,
 > K_POINTS (gamma)?

This syntax is betterm because the code will use the property of the 
Gamma-point to use real-valued wavefunctions, saving half the memory and 
the time on Fourier transforms...

But some codes (es. phonon) do not work with Gamma-point tricks, in that 
case you have to use the following syntax to ensure compatibility

> K_POINTS (automatic)
> 1 1 1 0 0 0 or

cheers


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Lorenzo Paulatto - Paris


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