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<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid"> generally pseudopotetials can be divided into two classes GGA and LDA by the exchange correlation type,but there are many way to do it .the mostly used form are USPP , NCPP ; TM,HGH, etc. </blockquote>
<div> My question are </div>
<div> 1 How to discern the downloaded psudopotentials from the PWSCF web site ,is it GGA or LDA?</div>
<div> 2 Can I mix NCPP with USPP or PAW, or mix TM with HGH ,for different types of atom in a multi-type atoms crystal calculation ?</div>
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<div> </div></div><br><br clear="all"><br>-- <br>Sincerely Y. M. Qian <br>Lab.of Condensed Matter Theory and Materials Computation <br>Institute of Physics <br>Chinese Academy of Sciences<br>Tel: + 8610 8264 9147<br><a href="mailto:E-Mail%3Ayuminqian@gmail.com">E-Mail:yuminqian@gmail.com</a> <br>
P.O.Box 603 Beijing 100190<br>China <br><br>