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<div id="divRplyFwdMsg" dir="ltr"><font style="font-size:11pt" face="Calibri, sans-serif" color="#000000"><b>De :</b> BENYAHIA NEZHA<br>
<b>Envoyé :</b> samedi 17 février 2018 18:29<br>
<b>À :</b> pw_forum@pwscf.org<br>
<b>Objet :</b> The LDA-1/2 method for an unknown band gap material!!!!</font>
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Dear quantum espresso developers,</div>
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I want to calculate the band structure of N doped GaP compound in the wurtzite structure, using the quantum espresso with LDA-1/2 method, however the experimental band gap of N doped GaP compound is unknown, then i cant know if the band gap was corrected
or not after generating the pseudo. The other issue is the choice of rcutv, how do i choose it for GaP-N material?
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