Are you sure "it stops"? Yours is a big calculation, it will take a lot of time. You should in any event try smaller calculations: one with Gamma-point only (halves memory and time) to begin with, or a smaller supercell, and see what happens
Paolo -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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