<div dir="ltr"><br>Forgot to say, I tried the 4.2 version also and the error showed up again! <br>This error doesn't happen for the example calculations!!<br>I used the standard PPs from the official website of Qespresso instead of my own PPs, but it didn't help!!!<br clear="all">
<br>-- <br>Ali Tavana<br>PhD Candidate,<br>Magnet Research Lab. (MRL)<br>Sharif University of Technology,<br>Tehran, Iran.<br>Tel: +98 21 6616 4544<br>Fax:+98 21 4446 0799<br>
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