[QE-users] Unfolding Band Structure using BandUp

Samar Chand samarc23 at yahoo.com
Thu Sep 19 02:25:22 CEST 2019


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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