<html><head><style type='text/css'>p { margin: 0; }</style></head><body><div style='font-family: Times New Roman; font-size: 12pt; color: #000000'><span>Dear QE users,<br><br> I've been tried to use the pseudo </span><span class="grigio"><a href="http://www.quantum-espresso.org/pseudo/1.3/UPF/N.star1s-pbe-rrkjus.UPF" class="aranciolink">N.star1s-pbe-rrkjus.UPF</a>, from QE pseudo database (http://www.quantum-espresso.org/pseudo/upfdetails.php?upf=N.star1s-pbe-rrkjus.UPF) in a SCF calculation (version 4.3).</span><span id="ab5efba9-6f84-4f27-bf02-f64104527c93"> I follow the suggestions (</span>cutoff for wfc=60 and for chrg_den=600), however and unfortunately I got this:<br><br><strong>from read_upf_v2 : error # 1</strong><br style="font-weight: bold;"><span style="font-weight: bold;"> Ultrasoft pseudopotentials in UPF format v.2.0.0 are affected by a bug compromising their quality. Please regenerate pseudopotential file for N</span><br><br>Of course I understood the message... It should be updated? I know about the sensibility of the pseudopotentials when generated and used in different systems, and they <div id="gt-res-content" class="almost_half_cell"><div dir="ltr" style="zoom:1"><span id="result_box" class="short_text" lang="en"><span class="hps">should be tested</span> <span class="hps">to exhaustion</span></span>... But, one question: <br>are the pseudo from the database of "general" purpose, I mean like "lanl2dz" or "sdd" are in gaussian or other MO packages?<br></div></div><br>Thank you in advance!<br><br>Best regards,<br>Egn <br><span id="ab5efba9-6f84-4f27-bf02-f64104527c93">-- <br>Eugenio Furtado de Souza<br>Laboratorio de Modelagem Molecular-LABMMOL<br>Universidade Federal do Rio de Janeiro<br>Av. Athos da Silveira Ramos No 149, CT, Bloco A, sala 609<br>tel: (21) 2562-7132<br>Cidade Universitária, Ilha do Fundão, Rio de Janeiro-RJ, CEP 21941-90<br></span></div></body></html>