hello Willem
the program is complaining the it is not able to find the pseudo file to
read it and test it.
very hard to understand why from afar.
could you send more details on what you are doing ?
thanks and greetings
Pietro
On 03/10/19 12:00, Offermans Willem wrote:
Dear Quantum Espresso friends,
I’m trying to generate some PAW data sets.
I’m using some definitions files, provided by
https://github.com/dalcorso/pslibrary.
The ld1.x program is used to generate the PAW data sets.
However I got an error upon execution (see below).
Does somebody have an idea how to avoid the error?
What is the file, that cannot be opened?
$ ld1.x -i ./Pd.pw91-n-kjpaw_psl.1.0.0.test.in
Program LD1 v.6.4.1 starts on 3Oct2019 at 11:55:45
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
Reading input from ./Pd.pw91-n-kjpaw_psl.1.0.0.test.in
ERROR(FoX)
Cannot open file
Met vriendelijke groeten,
Mit freundlichen Grüßen,
With kind regards,
Willem Offermans
Researcher Electrocatalysis SCT
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_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
