[QE-users] new qe superfeatures

[Aleksandra Oranskaia]

Thanks for the reply on the 2nd question.

Regarding the 1st one:
I found the example in PP folder, it worked.
I tried the same calculation with spin-orbit coupling but got an error:

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine  fft_type_set (6):
  there are processes with no planes. Use pencil decomposition (-pd .true.)
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

Are exx bands impossible with soc or I need to somehow recompile the code
with "-pd .true."?


Also would be happy to know what is the meaning of the 2nd line in plotband
input in the example ("-10 20 507 578")?
-- 
Best wishes,
Alex (she/her/hers),
phd candidate in chemical sciences
'I.. a universe of atoms, an atom in the universe' (Richard P. Feynman)
https://cpms.kaust.edu.sa/

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