Some recent PP files are not backward-compatible. I think it is sufficient to remove the PP_GIPAW_CORE_ORBITALS section.
Paolo On Sun, Jun 23, 2019 at 5:15 PM Rajesh Raju <[email protected]> wrote: > Hi, > > I have attached all the files for reference. We use a python program for > generating nanoclusters and the line for running the QE is included there > (aprun -n 24 pw.x -in input.in > output.out). The RunQELig.py will > generate input.in. > > The pseudopotential files are attached below. I haven't faced any issues > with PAW-PBE pseudopotentails for Cu, Ru, C and O. The error is only for > the H.pbe-kjpaw_ps1.1.0.0.UPF. (I attached it as txt file in the mail). > > Please let me know if you need any more details. > > Version that I use: Program PWSCF v.5.4.0 > > Thanks > Rajesh > ________________________________________ > From: users [[email protected]] on behalf of > [email protected] [[email protected]] > Sent: 23 June 2019 14:31 > To: [email protected] > Subject: Re: [QE-users] Hydrogen pseudopotential file error: > > > I have attached the error file also which starts with the following > > lines: Can you please help me to fix this error > > > Hello, > in order to help you we need: > 1. input file > 2. the pseudopotential files in question > 3. the version of the code you are using, and how you compile and run it > > regards > > -- > Lorenzo Paulatto - Paris > _______________________________________________ > 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 > _______________________________________________ > 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 -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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