[Wien] Emin and Emax in case.inso

[Atta-fynn, Raymond]

Dear WIEN users,
 
 
there is something about Emin, Emax in case.inso that I do not understand. 
I thought Emax and Emin simply specified the energy window for which 
eigenvalues should be printed. I was running a spin-polarized + spin orbit 
calculation (with Ecut = 5 Ry in case.in1) and Emin, Emax= -10 Ry, 2.5 Ry. 
But I the calculation was taking too long and 
needed only the TOTAL ENERGY and 
NOT the eigenvalues so I reduced the energy 
window in case.inso from [-10 Ry, 2.5 Ry] to 
[-0.1 Ry, 0.1 Ry] to speed up the calculation. 
I got the idea from part of an old reply by P. Blaha (see below)
 
The total energy went up by about 100 Ry which I find quite puzzling. 
My question is: what are the minimum requirements that Emin and Emax 
should satisfy? How small can Emax be and how large can Emin be? 
How do they influence the total energy?
 
Thanks
 
Ray Atta-Fynn 
 
========================================================
 
P. Blala wrote:
 
 Be sure that case.inso has a as small as possible E-window ! This
should limit the size of the vectorso files (lapw1 probably needs a large
E-range for larger variational freedom, but in lapwso you should write
ONLY the required E-range
 
 
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