On Thu, Sep 10, 2020 at 12:52 AM Hari Paudyal <[email protected]> wrote:
> &system/ > ibrav = 4 > celldm(1) = 5.82 > celldm(3) = 1.14 > should be &system > ibrav = 4 > celldm(1) = 5.82 > celldm(3) = 1.14 > / > Paolo > When I run ibrav2cell.x; ibrav2cell.x <ib.in > > I got the following error; > > %%%%%%%%%%%%%%%%%%%% > Error in routine latgen (236): > wrong celldm(1) > %%%%%%%%%%%%%%%%%%%% > > It looks like my input is not read at all. > > Could you please provide an input example and the way how it is run? I > appreciate it. > > Sincerely, > Hari > > > On Wed, Sep 9, 2020 at 4:34 AM Paolo Giannozzi <[email protected]> > wrote: > >> On Wed, Sep 9, 2020 at 4:09 AM Hari Paudyal <[email protected]> >> wrote: >> >> Can anyone help me how to use ibrav2cell.x? It says it read the standard >>> PW input >>> >> >> no, it says something different: >> WRITE(*,*) "This code reads a &system/ namelist from standard input" >> WRITE(*,*) "containing ibrav and celldm(1..6) as in INPUT_PW." >> It is admittedly ambiguous: "containing ONLY ibrav and ...." would be >> clearer >> >> Paolo >> >> >> , but I could not run for my scf.in (PW_input) >>> >>> I used; ibrav2cell.x <scf.in >>> it does not work. >>> >>> On the other hand cell2ibrav.x is very easy to use and very helpful. >>> >>> I appreciate any suggestions. >>> >>> Sincerely, >>> Hari >>> _______________________________________________ >>> 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 >> >> _______________________________________________ >> 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
_______________________________________________ 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
