[Wien] band structure

delamora delamora at unam.mx
Sat Nov 21 18:25:27 CET 2015


0      1    0.2                    # jatom, jtype, size  of heavier plotting

Did you change the first character? '0' to the corresponding atom?


________________________________
De: wien-bounces at zeus.theochem.tuwien.ac.at <wien-bounces at zeus.theochem.tuwien.ac.at> en nombre de mitra narimani <m.narimani84 at gmail.com>
Enviado: sábado, 21 de noviembre de 2015 10:53 a. m.
Para: wien at zeus.theochem.tuwien.ac.at
Asunto: [Wien] band structure

Hi dear all
I want to calculate the electronic properties of
Np0.03Sc0.97PdBi compound  by GGA+SO, so I made a supercell 2x2x2 and substitute one of Sc atom by Np, for band structur calculation dont have problem, but when I want to characterize the s, p, d and f orbitals on band structure, the bands thickness dont have any change and also when I want to increase the size of symbol plots of all bands (band thickness), the bands thickness dont have any change and remain 0.2 (defult), please help me about this problem
thanke you very much
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20151121/0c58948f/attachment.html>


More information about the Wien mailing list