[Wien] energy convergence respect to k-points

Leonardo Pisani pisani at itp.uni-frankfurt.de
Sat Jan 15 16:11:09 CET 2005


Dear Wein users,

what is the reason why  in an LDA calulation and in an LSDA calculation (for 
the same compound and having the same remaining parameters)
 the energy convergency with respect to the number  of k-points is different, 
specifically LDA converges slower than LSDA?


Thank you very much?
Leonardo Pisani. 




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