[Pw_forum] Additional informations about XSpectra

Cristian Degli Esposti Boschi cristian.degliesposti at unibo.it
Thu Aug 5 14:54:55 CEST 2010

Dear all,

we are planning to use XSpectra and therefore I would need to understand 
in detail the following three elemets of the input:

(1) is the energy range (xemin,xemax) referred to the Fermi energy
of the preliminar scf calculation?

(2) is there a special convention for the components of the wavevector
and of the polarization vector? The defaults are (1,0,0) and (0,1,0);
shouldn't they be orthogonal?

(3) last line of input, after the $cut_occ section
(question already posted on past 2/7 in this forum)

Thanks for your time. Cristian
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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