<div dir="ltr"><div>I am doing test run with face centred orthorhombic structure, I
took 4 atom conventional cell. QE code should have detected 8 symmetric
operations, while it is showing only 2 . Here is my input file</div><div><pre><code>&control
calculation=<span>'relax'</span>
restart_mode=<span>'from_scratch'</span>,
pseudo_dir =<span>'.'</span>
outdir=<span>'./tmp/'</span>,
prefix=<span>'al'</span>
tprnfor = .<span>true</span>.
tstress = .<span>true</span>.
disk_io=<span>'none'</span>
/
&system
ibrav= 0,A =4.05, nat= 4, ntyp= 1, ecutwfc =60,
occupations=<span>'smearing'</span>, smearing=<span>'mv'</span>, degauss=0.02
/
&electrons
diagonalization=<span>'cg'</span>
mixing_beta = 0.7
/
&ions
ion_dynamics=<span>'bfgs'</span>
/
CELL_PARAMETERS alat
1.03 0 0
0 0.97 0
0 0 1
ATOMIC_SPECIES
Al 26.98 Al.pbe-n-kjpaw_psl.1.0.0.UPF
ATOMIC_POSITIONS alat
Al 0.00 0.00 0.00
Al 0.50 0.50 0.00
Al 0.50 0.00 0.50
Al 0.00 0.50 0.50
K_POINTS automatic
15 15 15 0 0 0</code></pre></div><br clear="all"><div>whereas primitive cell with ibrav=11 is detecting correct symmetry. Kindly provide highlights on this issue.<font color="#888888"><br></font></div><br>-- <br><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><img src="https://docs.google.com/uc?export=download&id=1_INvSQIZtuw14diRdyuYvVEW7oN_w5Q1&revid=0B8Mrh5Yn7c7Na1pqWndGNzJPT0xEa2pVbkcxK1krVDBMZUhnPQ" width="200" height="75"><br></div><div dir="ltr">PRANAV KUMAR</div><div dir="ltr"> Research Scholar<br><div>IIT MADRAS (AM18D011)</div><br></div></div></div></div></div></div></div>