hi akhbarinezhad, what you mentioned in the block is wrong to my knowledge (what is 1.5), siesta calculate the square of the wave function at the gamma point (0.0.0), so try with this
%block WaveFuncKPoints 0.000 0.000 0.000 from 6 to 12 %endblock WaveFuncKPoints let me know if is true, slimane --- En date de : Mar 4.1.11, zahra akbarinejad <[email protected]> a écrit : De: zahra akbarinejad <[email protected]> Objet: Re: Re : [SIESTA-L] denchar wave function À: [email protected] Date: Mardi 4 janvier 2011, 19h09 Hi yes I did that in below way: %block WaveFuncKPoints 1.5 0.000 0.000 from 6 to 12 %endblock WaveFuncKPoints but I got about 2000 files!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
