<html><head><meta http-equiv="Content-Type" content="text/html charset=windows-1252"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;">Hello,<div><br></div><div>« reading namelist control » means there is a wrong (not existing,…) or misspelled keyword in the CONTROL namelist. Check carefully your input against the website manual, and you will find your mistake…</div><div><br></div><div>Best regards</div><div>Pascal</div><div><br></div><div><br><div><div>Le 22 mai 2016 à 22:30, Korichi Khadija <<a href="mailto:kooorichi@gmail.com">kooorichi@gmail.com</a>> a écrit :</div><br class="Apple-interchange-newline"><blockquote type="cite"><meta http-equiv="Content-Type" content="text/html; charset=utf-8"><div dir="ltr">hello <div><pre style="font-family: courier, 'courier new', monospace; font-size: 14px; white-space: pre-wrap; word-wrap: break-word; margin-top: 0px; margin-bottom: 0px; line-height: 19.6px;">I am new to Quantum Espresso and <span style="line-height:19.6px">when I run pw.x of the scrpit below ,</span></pre><pre style="word-wrap:break-word;margin-top:0px;margin-bottom:0px"><pre style="font-family: courier, 'courier new', monospace; font-size: 14px; line-height: 19.6px; white-space: pre-wrap; word-wrap: break-word; margin-top: 0px; margin-bottom: 0px;"><br></pre><pre style="word-wrap:break-word;margin-top:0px;margin-bottom:0px"><font face="courier, courier new, monospace"><span style="font-size:14px;line-height:19.6px;white-space:pre-wrap">&control
calculation='scf'
restart_mode='from_scratch',
pseudo_dir='/home/Julnar/software/espresso-4.3.2/pseudo',
outdir='/scratch/'
prefix='lead'
tmp_dir='/home/Julnar/software/espresso-4.3.2/S3DE/iotk/tmp'
/
&system
ibrav = 6,
celldm(1) = 7.5416,
celldm(3) = 0.98655,
nat= 5,
ntyp= 3,
nspin = 2,
starting_magnetization(2)=1.0,
ecutwfc = 37.0,
ecutrho = 370.0
occupations='smearing',
smearing='methfessel-paxton',
degauss=0.01
/
&electrons
conv_thr = 1.0e-8
mixing_beta = 0.1
/
ATOMIC_SPECIES
Sr 87.62 Sr.pw91-nsp-van.UPF
Ru 101.10 Ru.pw91-n-van.UPF
O 16.00 O.pw91-van_ak.UPF
ATOMIC_POSITIONS
Sr 0 0 0
O 0.5 0.5 0
Ru 0.5 0.5 0.494
O 0.5 0 0.494
O 0 0.5 0.494
K_POINTS (automatic)
10 10 10 1 1 1<br></span></font></pre></pre><div><br></div><div>***************************************************************************************</div><div><br></div><div><pre style="font-family: courier, 'courier new', monospace; font-size: 14px; white-space: pre-wrap; word-wrap: break-word; margin-top: 0px; margin-bottom: 0px; line-height: 19.6px;"><span style="line-height:19.6px"> I am getting the following error:</span></pre><pre style="font-family: courier, 'courier new', monospace; font-size: 14px; white-space: pre-wrap; word-wrap: break-word; margin-top: 0px; margin-bottom: 0px; line-height: 19.6px;"><span style="line-height:19.6px"><br></span></pre><pre style="font-family: courier, 'courier new', monospace; font-size: 14px; white-space: pre-wrap; word-wrap: break-word; margin-top: 0px; margin-bottom: 0px; line-height: 19.6px;"><span style="line-height:19.6px"><br></span></pre></div><div><div><br></div><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 <a href="http://www.quantum-espresso.org/">http://www.quantum-espresso.org</a>", </div><div> in publications or presentations arising from this work. More details at</div><div> <a href="http://www.quantum-espresso.org/quote">http://www.quantum-espresso.org/quote</a></div><div><br></div><div> Parallel version (MPI), running on 1 processors</div><div> Waiting for input...</div><div> Reading input from standard input</div><div><br></div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div><div> Error in routine read_namelists (5010):</div><div> reading namelist control</div><div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div></div><div class="gmail_signature"><br></div><div class="gmail_signature"><pre style="font-family: courier, 'courier new', monospace; font-size: 14px; white-space: pre-wrap; word-wrap: break-word; margin-top: 0px; margin-bottom: 0px; line-height: 19.6px;"><br class="">
Please may someone shed some light on to why this is the case, and if there is anything wrong with my input. ?</pre></div>
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