[Pw_forum] band structure for a 72 C atom supercell

WF kalamaillist at gmail.com
Sun Dec 4 10:03:30 CET 2011


> Dear Wu,
> Thanks for your reply. Is there any other executable that does this?what
about Gnuplot? does it follow the same procedure or is different?
> Thanks again
> Elie

The band information can be found in the stdout of pw.x in text. Any graph
tool include gnuplot and xmgrace should be OK to display them, however it
may be necessary to rearrange the data to an usable format by yourself.

--------------------------------------------------
Wu Feng
Chemistry and Molecular Engineering, Peking University
--------------------------------------------------




More information about the users mailing list