On 1/13/21 12:20 PM, abd el ali el omrani wrote:
Hello quantum espresso users,
I have calculated the band gap by HSE functional, but when I wanted to
plot the band structure I realised that I can't do it by bands.x.
I would please if any one can help me to do the band structure by HSE
function
Hello quantum espresso users,
I have calculated the band gap by HSE functional, but when I wanted to
plot the band structure I realised that I can't do it by bands.x.
I would please if any one can help me to do the band structure by HSE
functional?
thank you in advance.
--
*Best regards,*
*Abd
Hii,
Please correct ndx3 to nqx3.
Best wishes
Rekha
On Sat, Jul 4, 2020, 07:07 Antoine Jay wrote:
> Dear all,
> I would like to plot the band structure obtained with HSE.
> I try the trick proposed by Lorenzo: adding the K points I want to plot
> with weight 0 after the standard list of k poin
Dear all,
I would like to plot the band structure obtained with HSE.
I try the trick proposed by Lorenzo: adding the K points I want to plot with
weight 0 after the standard list of k points,
but I get the error "wrong EXX q grid".
Note that the first part of the list corresponds to an automatic
