The ABINIT Users Mailing List ( CLOSED )

[Matthieu Verstraete <verstraete@pcpm.ucl.ac.be>]

In a word, no. You probably shouldn't want to either, tetrhedron is more 
precise, unless you only have 1 kpoint. The practical solution then is to add 
a useless second kpoint to fool the algorithms (use a shiftk).

Matthieu

Quoting lbo@ustc.edu:

> Dear ABINIT experts,
> 
> In the calculation of density of states, we can use parameter prtdos=1
> with smearing technique or prtdos=2 with tetrahedron method.
> Also we can calculate the local density of states (LDOS) using prtdos=3
> with 
> tetrahedron method.
> My question is if we can use smearing technique to calculate LDOS, if
> yes, how to input the parameter?
> My program is V4.2.3.
> 
> I am very appreciated for any help!
> 
> Bo Liu
> lbo@ustc.edu.cn
> 


-------------------------------------------------
This mail sent through IMP: atlas.pcpm.ucl.ac.be

----- End forwarded message -----


-------------------------------------------------
This mail sent through IMP: atlas.pcpm.ucl.ac.be