<div style="line-height:1.7;color:#000000;font-size:14px;font-family:arial">Therefore, you have to use the examples at atomic_doc/***_library, too. <br>The problem of fhi-ncpp converting, may be solved only by Abinit or FHI98 developers, because of the lack of basic information in pp files.<br><br><div>--<br>GAO Zhe<br>CMC Lab, MSE, SNU, Seoul, S.Korea<br>
</div><div id="divNeteaseMailCard"></div><br>At 2011-09-14 19:25:54,lucking-pine <songsong19840614@gmail.com> wrote:<br> <blockquote id="isReplyContent" style="padding-left: 1ex; margin: 0px 0px 0px 0.8ex; border-left: 1px solid rgb(204, 204, 204);"><div>Hi, Paolo</div>
<div> Thanks for your advice.But the main problem I want to know is if the way which I converted pseudopotential is right or wrong?And could tell me the reason? The information is very few by only reading atomic_doc/pseudo-gen.pdf.<br>
<br></div>
<div class="gmail_quote">2011/9/14 Paolo Giannozzi <span dir="ltr"><<a href="mailto:giannozz@democritos.it">giannozz@democritos.it</a>></span><br>
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<div class="im"><br>On Sep 13, 2011, at 16:38 , lucking-pine wrote:<br><br>> from readpp : error # 2<br>> inconsistent DFT read<br><br><br></div><a href="http://www.quantum-espresso.org/user_guide/" target="_blank">http://www.quantum-espresso.org/user_guide/</a><br>
node52.html#SECTION000121060000000000000<br>---<br>Paolo Giannozzi, Dept of Chemistry&Physics&Environment,<br>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222<br>
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