Re: [QE-users] [Pw_forum] La pseudopotential
Thank you very much as always Στις 01/03/2018 13:41, Paolo Giannozzi έγραψε: "On the web SITE", I mean: pseudopotentials.quantum-espresso.org [4] On Thu, Mar 1, 2018 at 12:40 PM, Paolo Giannozziwrote: On the web sites you may find norm-conserving (HGH) pseudopotentials for La. Following the link "pseudo-dojo" (whatever it means) you may find others (likely less hard than HGH) Paolo On Wed, Feb 28, 2018 at 7:46 AM, Eleftheria Gkogkosi wrote: Good day, Do you know where I can find for Lanthanum (La) pseudopotential as per Martin Troullier method with PBE functional? Many thanks! -- Eleftheria Gkogkosi Applied Mathematics & Physics Dept. National Technical University of Athens http://users.ntua.gr/elefthe ___ Pw_forum mailing list pw_fo...@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum [1] -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216 [2], fax +39-0432-558222 [3] -- 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 Links: -- [1] http://pwscf.org/mailman/listinfo/pw_forum [2] tel:+39%200432%20558216 [3] tel:+39%200432%20558222 [4] http://pseudopotentials.quantum-espresso.org ___ users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users -- Eleftheria Gkogkosi Applied Mathematics & Physics Dept. National Technical University of Athens http://users.ntua.gr/elefthe ___ users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
Re: [QE-users] [Pw_forum] La pseudopotential
Thank you very much as always Στις 01/03/2018 13:41, Paolo Giannozzi έγραψε: "On the web SITE", I mean: pseudopotentials.quantum-espresso.org [4] On Thu, Mar 1, 2018 at 12:40 PM, Paolo Giannozziwrote: On the web sites you may find norm-conserving (HGH) pseudopotentials for La. Following the link "pseudo-dojo" (whatever it means) you may find others (likely less hard than HGH) Paolo On Wed, Feb 28, 2018 at 7:46 AM, Eleftheria Gkogkosi wrote: Good day, Do you know where I can find for Lanthanum (La) pseudopotential as per Martin Troullier method with PBE functional? Many thanks! -- Eleftheria Gkogkosi Applied Mathematics & Physics Dept. National Technical University of Athens http://users.ntua.gr/elefthe ___ Pw_forum mailing list pw_fo...@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum [1] -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216 [2], fax +39-0432-558222 [3] -- 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 Links: -- [1] http://pwscf.org/mailman/listinfo/pw_forum [2] tel:+39%200432%20558216 [3] tel:+39%200432%20558222 [4] http://pseudopotentials.quantum-espresso.org ___ users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users -- Eleftheria Gkogkosi Applied Mathematics & Physics Dept. National Technical University of Athens http://users.ntua.gr/elefthe ___ users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
[QE-users] M45 edges in Xspectra
Dear all, Is it possible to use Xspectra for M45 edges? It is mentioned in the slides, but I don't see it in the INPUT file. Regards -- Dr. Eleni Chatzikyriakou Computational Physics lab Aristotle University of Thessaloniki elch...@auth.gr - tel:+30 2310 998109 ___ users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
Re: [QE-users] [Pw_forum] La pseudopotential
"On the web SITE", I mean: pseudopotentials.quantum-espresso.org On Thu, Mar 1, 2018 at 12:40 PM, Paolo Giannozziwrote: > On the web sites you may find norm-conserving (HGH) pseudopotentials for > La. Following the link "pseudo-dojo" (whatever it means) you may find > others (likely less hard than HGH) > > Paolo > > On Wed, Feb 28, 2018 at 7:46 AM, Eleftheria Gkogkosi > wrote: > >> Good day, >> >> Do you know where I can find for Lanthanum (La) pseudopotential as per >> Martin Troullier method with PBE functional? >> Many thanks! >> >> -- >> Eleftheria Gkogkosi >> >> Applied Mathematics & Physics Dept. >> National Technical University of Athens >> http://users.ntua.gr/elefthe >> ___ >> Pw_forum mailing list >> pw_fo...@pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > > -- > Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216 <+39%200432%20558216>, fax +39-0432-558222 > <+39%200432%20558222> > > -- 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 ___ users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
Re: [QE-users] [Pw_forum] La pseudopotential
"On the web SITE", I mean: pseudopotentials.quantum-espresso.org On Thu, Mar 1, 2018 at 12:40 PM, Paolo Giannozziwrote: > On the web sites you may find norm-conserving (HGH) pseudopotentials for > La. Following the link "pseudo-dojo" (whatever it means) you may find > others (likely less hard than HGH) > > Paolo > > On Wed, Feb 28, 2018 at 7:46 AM, Eleftheria Gkogkosi > wrote: > >> Good day, >> >> Do you know where I can find for Lanthanum (La) pseudopotential as per >> Martin Troullier method with PBE functional? >> Many thanks! >> >> -- >> Eleftheria Gkogkosi >> >> Applied Mathematics & Physics Dept. >> National Technical University of Athens >> http://users.ntua.gr/elefthe >> ___ >> Pw_forum mailing list >> pw_fo...@pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > > -- > Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216 <+39%200432%20558216>, fax +39-0432-558222 > <+39%200432%20558222> > > -- 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 ___ users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
Re: [QE-users] [Pw_forum] La pseudopotential
On the web sites you may find norm-conserving (HGH) pseudopotentials for La. Following the link "pseudo-dojo" (whatever it means) you may find others (likely less hard than HGH) Paolo On Wed, Feb 28, 2018 at 7:46 AM, Eleftheria Gkogkosiwrote: > Good day, > > Do you know where I can find for Lanthanum (La) pseudopotential as per > Martin Troullier method with PBE functional? > Many thanks! > > -- > Eleftheria Gkogkosi > > Applied Mathematics & Physics Dept. > National Technical University of Athens > http://users.ntua.gr/elefthe > ___ > Pw_forum mailing list > pw_fo...@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- 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 ___ users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
Re: [QE-users] [Pw_forum] La pseudopotential
On the web sites you may find norm-conserving (HGH) pseudopotentials for La. Following the link "pseudo-dojo" (whatever it means) you may find others (likely less hard than HGH) Paolo On Wed, Feb 28, 2018 at 7:46 AM, Eleftheria Gkogkosiwrote: > Good day, > > Do you know where I can find for Lanthanum (La) pseudopotential as per > Martin Troullier method with PBE functional? > Many thanks! > > -- > Eleftheria Gkogkosi > > Applied Mathematics & Physics Dept. > National Technical University of Athens > http://users.ntua.gr/elefthe > ___ > Pw_forum mailing list > pw_fo...@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- 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 ___ users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
Re: [QE-users] [Pw_forum] La pseudopotential
Dear Eleftheria Have you tried here? http://people.sissa.it/~dalcorso/pslibrary/index.html HTH Giuseppe Quoting Eleftheria Gkogkosi: Good day, Do you know where I can find for Lanthanum (La) pseudopotential as per Martin Troullier method with PBE functional? Many thanks! -- Eleftheria Gkogkosi Applied Mathematics & Physics Dept. National Technical University of Athens http://users.ntua.gr/elefthe ___ Pw_forum mailing list pw_fo...@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum GIUSEPPE MATTIOLI CNR - ISTITUTO DI STRUTTURA DELLA MATERIA Via Salaria Km 29,300 - C.P. 10 I-00015 - Monterotondo Scalo (RM) Mob (*preferred*) +39 373 7305625 Tel + 39 06 90672342 - Fax +39 06 90672316 E-mail: ___ users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users