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<p>Hello,</p>
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<p>I am trying to calculate the elastic constants of Al but I keep getting the following error:</p>
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<div><b> Error in routine thermo_readin (19):<br>
reading input_thermo namelist</b></div>
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<div><b>Input file:</b></div>
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<div>&CONTROL<br>
calculation = 'scf'<br>
outdir = './out/'<br>
prefix = 'Al'<br>
restart_mode='from_scratch'<br>
pseudo_dir = '/l/proj/kunf0049/Daoud/Al/PP/'<br>
<br>
/<br>
&SYSTEM<br>
ecutwfc = 3.0000000000d+01<br>
ibrav= 0,<br>
nat = 4<br>
ntyp = 1<br>
<br>
/<br>
&ELECTRONS<br>
conv_thr = 8.0000000000d-8<br>
<br>
/<br>
ATOMIC_SPECIES<br>
Al 26.981538 Al.pbesol-n-kjpaw_psl.1.0.0.UPF<br>
ATOMIC_POSITIONS crystal<br>
Al 0.0000000000 0.0000000000 0.0000000000 <br>
Al 0.0000000000 0.5000000000 0.5000000000 <br>
Al 0.5000000000 0.0000000000 0.5000000000 <br>
Al 0.5000000000 0.5000000000 0.0000000000 <br>
K_POINTS automatic<br>
8 8 8 0 0 0<br>
CELL_PARAMETERS (alat)<br>
4.043508862 0.000000000 0.000000000<br>
0.000000000 4.043508862 0.000000000<br>
0.000000000 0.000000000 4.043508862<br>
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<b>thermo_control:</b></div>
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<div>&INPUT_THERMO<br>
what='mur_lc_elastic_constants',<br>
frozen_ions=.TRUE.<br>
Set continue_zero_ibrav=.TRUE.<br>
/</div>
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<div>Your immediate response will be much appreciated <br>
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<p><b><span style="color:rgb(0,111,201)">Mohamed E.Daoud</span></b></p>
<p>Ph.D. Candidate </p>
<p>Department of Physics, College of Arts and Sciences </p>
<p>Khalifa University </p>
<p>P O Box 127788, Abu Dhabi, UAE</p>
<p>100061429@ku.ac.a</p>
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