I am extremely sorry . I corrected those quantities in the input file and it is still not working. My real problem is whether I specified the Wyckoff position correctly or not in my input file . My new input file is attached below.
Thank you. On Wed, Sep 29, 2021 at 1:59 AM Paolo Giannozzi <[email protected]> wrote: > Anyway: celldm(1) cannot be so small; celldm(4)=22/14 is not an allowed > syntax in a namelist > > On Tue, Sep 28, 2021 at 11:06 PM Peshal Karki <[email protected]> > wrote: > >> Dear Users, >> I am having trouble constructing an input file using the Wyckoff position >> and space group. I formed an input file using the space group and Wyckoff >> position for FeBiO3 (R3c h (161) ) but it crashed when I ran it. Could >> you please suggest to me where I made mistakes while forming the input >> file. My input file is attached below. >> >> Thank you. >> >> Best regards, >> Peshal Karki >> Graduate Student >> Department of Physics and Astronomy >> Clemson University >> _______________________________________________ >> Quantum ESPRESSO is supported by MaX (www.max-centre.eu) >> 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 206, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users
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_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
