[Pw_forum] MnPd Bulk
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).
SISSA & DEMOCRITOS (Trieste)
phone: +39 040 3787 511
Due to budget cuts approved by Italian Minister of Finance and Italian
Minister "for" Education, University and Research this may be the last
email you receive from me.
Please send any future correspondence, possibly via pigeon, to
mr. Lorenzo Paulatto
under Roiano Railway Bridge - Pillar 2
Donations in food, coins, booze and processor time are warmly welcome.
More information about the users