[Wien] correction to LDA

[Jorissen Kevin]

You can't, really.  People do GW calculations (not possible in wien2k) to get correct bandgaps.
 
kind regards,
 
 
 
Kevin Jorissen
 
 
new contact address !!
 
Kevin Jorissen
University of Washington
Dept. of Physics
Box 351560
Seattle, WA-98195-1560
U.S.A.
 
phone  +1 206 543 3904
fax      +1 206 685 0635
 
e-mail kevin.jorissen at ua.ac.be
web page http://fraangelico.phys.washington.edu/~jorissen
 

________________________________

Van: wien-bounces at zeus.theochem.tuwien.ac.at namens Benali Ben
Verzonden: di 4-10-2005 8:18
Aan: wien at zeus.theochem.tuwien.ac.at
Onderwerp: [Wien] correction to LDA


Dear Wien2k users,
How to make a correction to the LDA or GGA calculation when  calculating the bandgap in Wien2k
best regards

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