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<p>Dear QE users,</p>
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<p>I have used QE to calculate the Fermi level and vacuum level of a semiconductor.</p>
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<p>Now I use the same method to calculate the vacuum level with HSE functional. (pw.x > pp.x > average.x)</p>
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<p>However, a error emerges when pp.x.</p>
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<p>output:</p>
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<div> Program POST-PROC v.5.3.0 (svn rev. 11974) starts on 29Aug2017 at 15:21:50 </div>
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<div> This program is part of the open-source Quantum ESPRESSO suite</div>
<div> for quantum simulation of materials; please cite</div>
<div> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);</div>
<div> URL http://www.quantum-espresso.org", </div>
<div> in publications or presentations arising from this work. More details at</div>
<div> http://www.quantum-espresso.org/quote</div>
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<div> Parallel version (MPI), running on 24 processors</div>
<div> R & G space division: proc/nbgrp/npool/nimage = 24</div>
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<div> Info: using nr1, nr2, nr3 values from input</div>
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<div> Info: using nr1, nr2, nr3 values from input</div>
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<div> IMPORTANT: XC functional enforced from input :</div>
<div> Exchange-correlation = HSE ( 1 4 12 4 0 0)</div>
<div> EXX-fraction = 0.25</div>
<div> Any further DFT definition will be discarded</div>
<div> Please, verify this is what you really want</div>
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<div> </div>
<div> Parallelization info</div>
<div> --------------------</div>
<div> sticks: dense smooth PW G-vecs: dense smooth PW</div>
<div> Min 68 27 8 13690 3453 550</div>
<div> Max 69 28 9 13717 3500 565</div>
<div> Sum 1639 649 199 328759 83123 13417</div>
<div> </div>
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<div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div>
<div> Error in routine exx_n_plane_waves (1):</div>
<div> you must initialize the grid first</div>
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<p>Thanks.</p>
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</p>
<p>Clarence</p>
<p>City University of Hong Kong</p>
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