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 VITO NV | Boeretang 200 | 2400 Mol Phone:+32(0)14335263 Mobile:+32(0)492182073 [email protected]<mailto:[email protected]> [cid:[email protected]] Indien u VITO Mol bezoekt, hou aub er dan rekening mee dat de hoofdingang voortaan enkel bereikbaar is vanuit de richting Dessel-Retie, niet vanuit richting Mol, zie vito.be/route.<http://www.vito.be/route> If you plan to visit VITO at Mol, then please note that the main entrance can only be reached coming from Dessel-Retie and no longer coming from Mol, see vito.be/en/contact/locations.<http://www.vito.be/en/contact/locations> VITO Disclaimer: http://www.vito.be/e-maildisclaimer
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