On Sat, Mar 3, 2018 at 7:01 PM, Paolo Giannozzi <[email protected]> wrote:
figure out why it crashes. Most likely the code is accessing an unallocated > variable. It might be sufficient to properly allocated PAW variables to > avoid yhe crash. > sorry for the bad syntax: "It might be sufficient to properly ALLOCATE PAW variables to avoid the crash". I don't know how LDA-1/2 works, but if it works for USPP, it shouldn't be difficult to adapt it to PAW P. -- 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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