[Pw_forum] Question on last line of XSpectra input file

[Cristian Degli Esposti Boschi]

Dear all,

if I have not missed something, in the XSpectra input documentation as 
well as in the examples I do not understand the precise meaning of the
last line after closing the &cut_occ stanza.
It seems like a repetition of the K_POINTS specification in
the input for pw. For instance if the latter is set to be "automatic"
with "1 1 1 0 0 0" I guess it means a 1x1x1 grid in k-space with zero
offset, and then I repeat the same in the XSpectra input file.

But what should I specify in the latter file if in the scf calculation
with pw I use other options for K_POINTS, for instance Gamma or
a list of points with weights? I hope the question is clear. Thanks
for your time.

Cristian

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Cristian Degli Esposti Boschi
CNR, CNISM, Unita' di Ricerca di Bologna, c/o
Dipartimento di Fisica, Universita' di Bologna
viale Berti-Pichat, 6/2, 40127, Bologna, Italia
tel. ++39 051 2095114   fax ++39 051 2095113
e-mail: cristian.degliesposti -AT- unibo.it
web:    http://www.df.unibo.it/fismat/theory
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