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/
