[QE-users] Unfolding Band Structure using BandUp

[Oleksandr Motornyi]

Hi Saroj,

which QE version have you used? As far as I remember you must use 
-D__OLDXML flag during the compilation of recent QE version or use older 
QE version. Moreover, AFAIK in the most recent QE this flag was 
completely removed...

Best,

Oleksandr

On 19/09/2019 02:25, Samar Chand wrote:
>
> Hi Guys,
>
> I am trying unfold the band structure of WS2 supercell with the held 
> of BandUp. I am getting following error:
>
> ERROR (read_qe_evc_file): Problems opening the XML data-file 
> "../step_3_get_SC_wavefunctions_to_be_used_for_unfolding/outdir/bulk_Si_exmpl2_BandUP.save/data-file.xml"!
>
> I have attached output file. Could anyone please me to figure out the 
> problem?
>
> Thank you!
>
> Best,
>
> Saroj
>
>
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-- 
Oleksandr Motornyi
PhD candidate

Laboratoire de Solides Irradies
Ecole Polytechnique (Palaiseau, France)

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