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I changed the way to specifiy the cell, erasing the CELL_PARAMETERS block.</div>
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<span> ibrav = 14,</span><br>
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<div> celldm(1) = 56.7 ,<br>
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<div> celldm(2) = 1.0 ,<br>
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<div> celldm(3) = 1.0 ,<br>
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<div> celldm(4) = 0.0 ,<br>
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<div> celldm(5) = 0.0 ,<br>
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<span> celldm(6) = 0.0 ,</span><br>
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It solved the problem.</div>
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Thank you for your advice.</div>
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Daeho Han</div>
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<div id="divRplyFwdMsg" dir="ltr"><font style="font-size:11pt" face="Calibri, sans-serif" color="#000000"><b>보낸 사람:</b> Paolo Giannozzi <p.giannozzi@gmail.com> 대신 users <users-bounces@lists.quantum-espresso.org><br>
<b>보낸 날짜:</b> 2019년 3월 18일 월요일 오후 5:56<br>
<b>받는 사람:</b> Quantum Espresso users Forum<br>
<b>제목:</b> Re: [QE-users] Too many r-vectors error while running cp.x</font>
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<div dir="ltr">On Mon, Mar 18, 2019 at 6:35 AM (대학원생) 한대호 (화학과) <<a href="mailto:dhhan@unist.ac.kr">dhhan@unist.ac.kr</a>> wrote:</div>
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<div dir="ltr"> celldm(1) = 1.89</div>
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<div>the algorithm that estimates the number of neighbors for DFT-D implicitly assumes that the lattice constant is the lattice constant, not a bogus number like the above one. Try first of all to set a proper value for "celldm".<br>
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<div>Paolo<br>
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<div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
Phone +39-0432-558216, fax +39-0432-558222<br>
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