On Thu, Feb 14, 2019 at 9:18 AM LEUNG Clarence <[email protected]> wrote:
When I calculate the PDOS for isolated gas molecule by projwfc.x , it stop > with an error : > > Error in routine blk2cyc_zredist (1): > nb less than the number of proc > you have 2x2 matrices (natomwfc x natomwfc), don't use parallel diagonalization. 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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