[Wien] Maximum value of RK_max

tran at theochem.tuwien.ac.at tran at theochem.tuwien.ac.at
Thu May 4 11:23:09 CEST 2017


It depends somehow on RMT_min (the radius of the smallest sphere in
your system). In any case, 10 should be the largest meaningful value.

FT

On Thursday 2017-05-04 11:09, Chukwuemeka Okoye wrote:

>Date: Thu, 4 May 2017 11:09:40
>From: Chukwuemeka Okoye <cmi.okoye at unn.edu.ng>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>Subject: [Wien] Maximum value of RK_max
>
>Dear Wien Users/Developers,
>
>Just to know whether a value of RK_max greater than 5-9(10 for example) is
>meaningful or acceptable for APW +lo calculation. 
>Thanks.
>
>Chukwuemeka Okoye------------------------------
>Chukwuemeka M I Okoye
>Department of Physics and Astronomy,
>University of Nigeria,
>Nsukka, Enugu State,
>Nigeria
>Telephone: +234 7038766990
>E-mail: cmi.okoye at unn.edu.ng
>
>


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