[Pw_forum] FFT grid and cutoff energy.

[Hongsheng Zhao]

//Hi all,

//I've learned that, for all of the PW based DFT codes, such as, 
VASP/PWscf/Abinit/CASTEP, the
FFT grid is generated based on the cutoff energy.  So if we have tested 
the convergence total energy vs cutoff energy, then the
FFT grid used for our calcultions should also be OK based on the 
selected cutoff energy.  In other words, it is unnecessary to do a

Independent FFT grid convergence test. Am I right?

Regards.
-- 

Hongsheng Zhao<zhaohscas at yahoo.com.cn>
School of Physics and Electrical Information Science,
Ningxia University, Yinchuan 750021, China

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110531/04630021/attachment.html>