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Hello Dear Wien2k user;</p><p style="padding: 1px; margin: 1px;">I'm working on AlxGa1-xAs using WIEN2k_09 code. I couldn't have obtained correct band gap in the indirect region. I replaced Ga -in a supercell that is based on GaAs- with Al in alloy but with GGA approximation I couldn't find an indirect gap. Then I've applied Engel-Vosko approximation but I've got a indirect gap in the Gamma-R direction that was supposed to be in the L-Gamma-R direction. I don't know where my mistake is?!<br>
</p><br></span></span>I would appreciate any help on this,<br><br>Thanks<br>