<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">Dear Liu,<br> I have downloaded the .fhi file from abinit pseudopotential site, and i used the command given by you as follows;<br><br> ./fhi2upf.x /home/adetunji/Desktop/30-Zn.LDA.fhi <br><br>after the command, here is the result of the process.<br>read_fhi: assuming abinit format<br>Pseudopotential without NLCC successfully read<br>Wavefunction # 1: label, occupancy > <br><br>please, what is the next step.<br><br><br>Adetunji Bamidele Ibrahim<br>
Department of physics,University of Agriculture,<br>
Abeokuta, Ogun State,Nigeria.<br><br>--- On <b>Sat, 7/9/11, gbliu <i><goodluck_1982@163.com></i></b> wrote:<br><blockquote style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"><br>From: gbliu <goodluck_1982@163.com><br>Subject: Re: [Pw_forum] I need norm conserving pseudopotetial for Zinc that can work with pwscf<br>To: "PWSCF Forum" <pw_forum@pwscf.org><br>Date: Saturday, July 9, 2011, 6:32 AM<br><br><div id="yiv777899919">
<br>
You can use pp file of ABINIT, then use upftools/fhi2upf.x to covert
the .fhi file to .upf file.<br>
<br>
Best wishes,<br>
Liu Gui-Bin<br>
Dept. Physics, HKU<br>
<br>
δΊ 2011/7/9 6:08, bamidele ibrahim ει:
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Dear all,<br>
I needed to run epsilo.x to get optical properties, but
the pseudopotentials available on the QE page for Zinc has
no norm conserving pseudopotential. So, i will appreciate
it if an assistance can come from anybody from the forum.
Also, if there is a way to make epsilo.x recognised the
USPP. Kindly put me through.<br>
<br>
Thanks<br>
<br>
Adetunji Bamidele Ibrahim<br>
Department of physics,University of Agriculture,<br>
Abeokuta, Ogun State,Nigeria.</td>
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