[Pw_forum] gold surfaces & convergence

Stefano de Gironcoli degironc at sissa.it
Thu Jul 3 17:26:51 CEST 2003


dear Patricia,

your input file contains degauss=0.03 but does not contain 
occupations='smearing',
the degauss statement is then ignored and the code goes for a "fixed 
occupations" run.

Is this what you really want ?

stefano





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