<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman,new york,times,serif;font-size:12pt">Dear Bayo,<br><br>There is NO pseudopotential for a compound, it is for an element! So, you can use pseudopotentials from QE website for Al and O. Which one is your choice. Play around with different pseudo to understand basics of DFT.<br><div> <br>Bests,<br>Eyvaz. <br></div>-------------------------------------------------------------------<br>Prof. Eyvaz Isaev, <br>Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden <br>Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, <br>isaev@ifm.liu.se, eyvaz_isaev@yahoo.com<div><br></div><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><br><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><font face="Tahoma" size="2"><hr
size="1"><b><span style="font-weight: bold;">From:</span></b> bayo mus <abmus911@yahoo.ie><br><b><span style="font-weight: bold;">To:</span></b> pw_forum@pwscf.org<br><b><span style="font-weight: bold;">Sent:</span></b> Wed, August 4, 2010 8:25:36 AM<br><b><span style="font-weight: bold;">Subject:</span></b> [Pw_forum] pseudopotential for compounds<br></font><br>
<div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><div>Dear QE users<br>Still learning pseudopotential I want to ask if QE can generate pseudopotential for compounds e.g AlO3 Pls refer me to any tutorials if it is possible this is very important to me.<br><br>Thanks<br><br>Musari A. A<br><br></div>
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