[Pw_forum] k points in epsilon.x
Lorenzo Paulatto
paulatto at sissa.it
Tue Oct 13 09:30:07 CEST 2009
In data 13 ottobre 2009 alle ore 08:57:27, dev sharma <decboy9 at gmail.com>
ha scritto:
> and i asked that if i have to give k points in second option, How to give
> that ???? can i give these 72 k points generated by the scf output ????
Dear Dev,
It is just the same! You can use automatic, but you *must* specify
nosym=.true.
noinv=.true.
in the system namelist for the nscf calculation. If you *really* want to
specify the point by hand you can generate a list with program kpoints.x
that you can find in pwtools/ directory.
best regards
P.S.
> Dear Madam,
"Andrea" is a masculine name in Italian (it is feminine in English,
German, Spanish and others), on the other hand "Layla" is feminine in
every language I'm aware of. You can avoid this kind of mistakes by
calling people directly with their names, instead of using Sir/Madam.
cheers
--
Lorenzo Paulatto
SISSA & DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www: http://people.sissa.it/~paulatto/
*** save italian brains ***
http://saveitalianbrains.wordpress.com/
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