[CPMD-list] KPOINTS

[Axel Kohlmeyer]

On Sat, 31 Jan 2004, Massimiliano Tirone wrote:

MT> 
MT> Hello,
MT> I have a very simple question, if the instruction KPOINTS is
MT> omitted from the input file, does the program consider
MT> only the Gamma point for the energy calculations?

hello max,

the answer to your question is yes.

take care,
	axel.

MT> 
MT> all the best to all CPMD users,
MT> Max
MT> 
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MT> CPMD-list at cpmd.org
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MT> 
MT> 

-- 


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Dr. Axel Kohlmeyer                        e-mail: axel.kohlmeyer at rub.de
Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-26673
Ruhr-Universitaet Bochum - NC 03/53         Fax:   ++49 (0)234/32-14045
D-44780 Bochum  http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/
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