[Wien] Band Structure
Sherif Yehia
wien542002 at yahoo.com
Mon Mar 26 11:03:13 CEST 2007
Dear Wien user
I am trying to plot band structure for Rare-earth
transition metal (spin polarized case)
SCF went with no problem then ran from interface
x lapw1 -band -up
x lapw1 -band -dn
To get band character
x irrep -up
I am having this error
1- no output in Case.irrep
rmprop: cannot find Rj*Ri*inv(Rj)
0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 237pf+0w
I would appreciate your advice
Thank you
Sherif Yehia
____________________________________________________________________________________
Bored stiff? Loosen up...
Download and play hundreds of games for free on Yahoo! Games.
http://games.yahoo.com/games/front
More information about the Wien
mailing list