Dear Users and Developers
I've performed an apparently correct ph.x run of a molecular crystal with
K_POINTS {automatic}
1, 1, 1, 0, 0, 0
with this input
Normal modes for zwi
&inputph
tr2_ph=1.0d-14,
prefix='phe-ala-cyc-vdwdfc09',
amass(1)=15.999,
amass(2)=14.007,
amass(3)=12.011,
amass(4)=1.008,
outdir='/data/giuseppe/qe/dipeptidi/phe-ala/iso/cyc/run/tmp'
epsil=.true.,
trans=.true.,
asr=.true.
fildyn='dmat.phe-ala-cyc-vdwdfc09'
/
0.0 0.0 0.0
which produced an apparently correct fildyn file
'dmat.phe-ala-cyc-vdwdfc09', which seems not to be an xml file, anyway.
When I try to use dynmat.x on this 'dmat.phe-ala-cyc-vdwdfc09' file
with this dynmat.inp input file
&input fildyn='dmat.phe-ala-cyc-vdwdfc09', asr='zero-dim' /
in this way
My_path_to_bin/dynmat.x < dynmat.inp > dynmat.out
the output says
Program MATDYN v.6.4.1 starts on 13Mar2020 at 17:39: 2
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
"P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
URL http://www.quantum-espresso.org";,
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 1 processors
MPI processes distributed on 1 nodes
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine matdyn (1):
reading input namelist
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
Any suggestion of what's wrong?
Thank you in advance
Giuseppe
GIUSEPPE MATTIOLI
CNR - ISTITUTO DI STRUTTURA DELLA MATERIA
Via Salaria Km 29,300 - C.P. 10
I-00015 - Monterotondo Scalo (RM)
Mob (*preferred*) +39 373 7305625
Tel + 39 06 90672342 - Fax +39 06 90672316
E-mail: <giuseppe.matti...@ism.cnr.it>
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