Hi,


I have a question concerning the option 'automatic' for k_point card:

In order to use the epsilon.x postprocessing tool I need a uniform k-point 
grid. In the manual for epsilon.x 
(http://web.mit.edu/espresso_v5.0.1/i386_linux26/espresso-5.0.1/PP/Doc/eps_man.pdf)

it is said that the option automatic is not suitable:



Epsilon.x doesn’t support the reduction of the k-points grid into the 
unreducible Brillouin zone, so the previous PW runs must be performed with a 
uniform k-points grid and all k-points weights

 must be equal to each other, i.e. in the k-points card the k-points 
coordinates must be given manually in crystal or alat or bohr , but not with 
the automatic option.



On the other hand I read in the pw_user_guide 
(http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide.pdf)  
that in order to obtain a uniform k-point grid I shall use the option automatic:



 In the latter case, you should specify a uniform grid of points. For DOS 
calculations you should chooseoccupations='tetrahedra' together with an 
automatically generated uniform k-point grid (card KPOINTS with option 
\automatic").

So what is the truth?



Thanks and regards



Stephan Ludwig

  

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