[QE-users] chi and beta functions for pp generation

[Malte Sachs]

Dear all,

I am trying to generate PAW pseudopotentials with the ld1.x code. 
However, I am not sure what kind of information I can get by plotting 
and analysing the chi and beta functions. How can I use these plots to 
improve the pp generation, e.g. is there a "ideal" way these functions 
should look like?

Best regards,

Malte Sachs

-- 
Malte Sachs
Anorganische Chemie, Fluorchemie
Philipps-Universität Marburg
Hans-Meerwein-Straße 4
35032 Marburg (Paketpost: 35043 Marburg)
Tel.: +49 (0)6421 28 - 25 68 0
http://www.uni-marburg.de/fb15/ag-kraus/

-------------- next part --------------
A non-text attachment was scrubbed...
Name: malte_sachs.vcf
Type: text/x-vcard
Size: 379 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20190319/6b7bf201/attachment.vcf>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: smime.p7s
Type: application/pkcs7-signature
Size: 5303 bytes
Desc: S/MIME Cryptographic Signature
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20190319/6b7bf201/attachment.p7s>