[Pw_forum] MnPd Bulk

Lorenzo Paulatto paulatto at sissa.it
Wed Dec 3 09:32:17 CET 2008

Salvador Meza Aguilar ha scritto:
> Which is the problem? I attach the input files.

It is known that DFT, especially GGA, gives a (wrong) magnetic moment
for Palladium bulk. It is also true that in order to reproduce the
literature results I had to use a smearing smaller than you did (exactly
half was barely sufficient).

Lorenzo Paulatto
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