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Scaling
Date: 2021/03/08 20:25
Name: Samuel Dechamps   <samuel.dechamps@uclouvain.be>

Dear all,

I was wondering how Green's function calculations were scaling compared to plain DFT ground-state calculations in OpenMX ?

I'm assuming that plain DFT has a N&#178;log(N) scaling, due to FFT limitations, but what about Green's functions ?

Best,
S. Dechamps
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Re: Scaling ( No.1 )
Date: 2021/08/01 10:32
Name: T. Ozaki

Hi,

Both the diagonalization employed in the conventional DFT and the simultaneous linear equation employed
in the Green's function method scale as third power of the number of atoms in their computational complexity.

Regards,

TO
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