oho I got it. Thank you very much . On Thu, Sep 30, 2021 at 1:14 AM Paolo Giannozzi <[email protected]> wrote:
> On Wed, Sep 29, 2021 at 7:30 PM Peshal Karki <[email protected]> wrote: > >> My real problem is whether I specified the Wyckoff position correctly or >> not in my input file >> > > the Wyckoff positions are correctly specified, lattice parameters are not > > P. > > > >> 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 >> >> _______________________________________________ >> 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
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
