Dear all,<br><br>I am interested in semiconductors, and so, in band gaps. It seems that pw calculations give large errors for<br>band gaps. Recently I came across this paper: Chan and Ceder, Phys. Rev. Lett., 105, 196403
(2010), in <br>which the authors say their method, Delta-sol, which is a
generalization of Delta-scf, gives much more accurate<br>results for band gaps.<br><br>Does anyone happen to know if this method is implemented in QE; or, as someone told me, it is even not a mater of<br>coding in QE but just a matter of playing with input parameters; or perhaps you know if it has been implemented with some other <br>
software?<br><br>Thanks.<br><br><br>Hrach<br><br>University of Nebraska-Lincoln<br>