[Wien] number of plane waves

[Gavin Abo]

The article titled "Computation of Materials Properties at the Atomic 
Scale" by Dr. Schwarz states [1]:

/The size of the matrix is mainly given by the number of plane waves 
(PWs) but is increased slightly by the additional local orbitals that 
are used./

As mentioned at [2,3], while in the case directory for your structure 
after running the scf calculation [4], use the terminal command:

grep :RKM *.scf

The command should output a line(s), for example similar to [5]:

:RKM  : MATRIX SIZE 2241LOs: 42  RKM= 7.00  WEIGHT= 8.00  PGR:

 From the above line, it seems that the number of PWs is 2199 (= MATRIX 
SIZE - LOs = 2241 - 42)

[1] http://dx.doi.org/10.5772/59108
[2] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09912.html
[3] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg06111.html
[4] WIEN2k 19.1 User's Guide section "3.8 The SCF calculation" on page 
20: http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf
[5] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg06114.html

On 3/3/2020 5:18 PM, Wahid Kamal wrote:
> Dear wien2k users;
>
> where I can find the number of plane waves.?
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