[QE-users] ld1.x ERROR(FoX) Cannot open file

[Offermans Willem]

Dear Pietro and Quantum Espresso friends,

Of course, one needs to create the PAW data set first, before one can test it.
I don’t know why I expected it to work the other way around, but I feel pretty stupid :)

Mea Culpa, mea magna culpa!

Sorry for the noise.


Met vriendelijke groeten,
Mit freundlichen Grüßen,
With kind regards,


Willem Offermans
Researcher Electrocatalysis SCT
VITO NV | Boeretang 200 | 2400 Mol
Phone:+32(0)14335263 Mobile:+32(0)492182073

Willem.Offermans at Vito.be<mailto:Willem.Offermans at Vito.be>

[cid:982BA063-B96A-4A1B-89AB-5A01CA9FC70D at vito.local]

On 3 Oct 2019, at 13:49, Pietro Delugas <pdelugas at sissa.it<mailto:pdelugas at sissa.it>> wrote:


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<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
VITO NV | Boeretang 200 | 2400 Mol
Phone:+32(0)14335263 Mobile:+32(0)492182073

Willem.Offermans at Vito.be<mailto:Willem.Offermans at Vito.be>

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