[Wien] Help me

[Peter Blaha]

He probably means the number of basis functions for the wave function expansion.
Can be found using

grep :RKM case.scf

where both, the "effective " RKmax and the matrix size (number of APWs+LOs) is given.


Am 18.12.2013 03:53, schrieb Gavin Abo:
> Someone can correct me if I'm wrong, but I think they are referring to the "PLANE WAVES GENERATED (INCLUDING FORBIDDEN H,K,L)" value in case.outputd.
>
> On 12/17/2013 2:51 AM, kalsoom Khan wrote:
>> please dear all
>> i was studying one paper, in which i read "the calculations are converged with respect to Rmt*Kmax up to 8.0 correspondinding to 29181 plane waves" so can some say me
>> that how i can find the plane waves valve i.e .
>> with regards
>> kkhan
>
>
>
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-- 
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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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