Re: [QE-users] Issue with ONCV pseudos and projwfc.x (lforcet=.true.)
Dear all, Thank you for elaborating; I was not aware of that limitation. That being said, I managed to calculate MgO with HSE EXX and got quite good results with ONCV. They just required a relatively dense k-grid to converge (but I guess that is a totally different issue). I will keep that in mind! Best, Chris -- Postdoctoral Researcher Center for Quantum Nanoscience, Institute for Basic Science Ewha Womans University, Seoul, South Korea ___ users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
Re: [QE-users] Issue with ONCV pseudos and projwfc.x (lforcet=.true.)
Reassuring maybe not, but consider that pseudopotentials for hybrid functionals are ... typically nonexistent! Paolo On Mon, Jan 7, 2019 at 11:55 AM Giuseppe Mattioli < giuseppe.matti...@ism.cnr.it> wrote: > > small (?) --> reassuring... :-D > G. > > Paolo Giannozzi ha scritto: > > > Well, it's not that NLCC is not supported with hybrid functionals: the > code > > issues a warning and goes on computing, but this introduces a small (?) > > inconsistency > > > > Paolo > > > > On Mon, Jan 7, 2019 at 11:40 AM Giuseppe Mattioli < > > giuseppe.matti...@ism.cnr.it> wrote: > > > >> > >> Dear Chris > >> Thank you for the update, but I must add a comment. I've seen that the > >> abinit folder contains UPF pseudos (good) built with nonlinear core > >> correction; this is also good if you perform GGA calculations, but it > >> is not good at all in the case of EXX calculations, which, AFAIK, do > >> not support NLCC. I'm going to test them to see if something has > >> changed in the latest version... > >> HTH > >> Giuseppe > >> > >> Christoph Wolf ha scritto: > >> > >> > short comment: Don Hamann recommended me to use the newer input files > >> from > >> > abinit for QE pseudos as well as the SG15 inputs are not recommended > for > >> > the new oncvpsp versions > >> > > >> > https://github.com/pipidog/ONCVPSP > >> > > >> > > >> > HTH! > >> > Chris > >> > > >> > -- > >> > Postdoctoral Researcher > >> > Center for Quantum Nanoscience, Institute for Basic Science > >> > Ewha Womans University, Seoul, South Korea > >> > >> > >> > >> 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 > >> > > > > > > -- > > 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 > > > > 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 > -- 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] Issue with ONCV pseudos and projwfc.x (lforcet=.true.)
small (?) --> reassuring... :-D G. Paolo Giannozzi ha scritto: Well, it's not that NLCC is not supported with hybrid functionals: the code issues a warning and goes on computing, but this introduces a small (?) inconsistency Paolo On Mon, Jan 7, 2019 at 11:40 AM Giuseppe Mattioli < giuseppe.matti...@ism.cnr.it> wrote: Dear Chris Thank you for the update, but I must add a comment. I've seen that the abinit folder contains UPF pseudos (good) built with nonlinear core correction; this is also good if you perform GGA calculations, but it is not good at all in the case of EXX calculations, which, AFAIK, do not support NLCC. I'm going to test them to see if something has changed in the latest version... HTH Giuseppe Christoph Wolf ha scritto: > short comment: Don Hamann recommended me to use the newer input files from > abinit for QE pseudos as well as the SG15 inputs are not recommended for > the new oncvpsp versions > > https://github.com/pipidog/ONCVPSP > > > HTH! > Chris > > -- > Postdoctoral Researcher > Center for Quantum Nanoscience, Institute for Basic Science > Ewha Womans University, Seoul, South Korea 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 -- 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 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
Re: [QE-users] Issue with ONCV pseudos and projwfc.x (lforcet=.true.)
Well, it's not that NLCC is not supported with hybrid functionals: the code issues a warning and goes on computing, but this introduces a small (?) inconsistency Paolo On Mon, Jan 7, 2019 at 11:40 AM Giuseppe Mattioli < giuseppe.matti...@ism.cnr.it> wrote: > > Dear Chris > Thank you for the update, but I must add a comment. I've seen that the > abinit folder contains UPF pseudos (good) built with nonlinear core > correction; this is also good if you perform GGA calculations, but it > is not good at all in the case of EXX calculations, which, AFAIK, do > not support NLCC. I'm going to test them to see if something has > changed in the latest version... > HTH > Giuseppe > > Christoph Wolf ha scritto: > > > short comment: Don Hamann recommended me to use the newer input files > from > > abinit for QE pseudos as well as the SG15 inputs are not recommended for > > the new oncvpsp versions > > > > https://github.com/pipidog/ONCVPSP > > > > > > HTH! > > Chris > > > > -- > > Postdoctoral Researcher > > Center for Quantum Nanoscience, Institute for Basic Science > > Ewha Womans University, Seoul, South Korea > > > > 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 > -- 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] Issue with ONCV pseudos and projwfc.x (lforcet=.true.)
Dear Chris Thank you for the update, but I must add a comment. I've seen that the abinit folder contains UPF pseudos (good) built with nonlinear core correction; this is also good if you perform GGA calculations, but it is not good at all in the case of EXX calculations, which, AFAIK, do not support NLCC. I'm going to test them to see if something has changed in the latest version... HTH Giuseppe Christoph Wolf ha scritto: short comment: Don Hamann recommended me to use the newer input files from abinit for QE pseudos as well as the SG15 inputs are not recommended for the new oncvpsp versions https://github.com/pipidog/ONCVPSP HTH! Chris -- Postdoctoral Researcher Center for Quantum Nanoscience, Institute for Basic Science Ewha Womans University, Seoul, South Korea 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
Re: [QE-users] Issue with ONCV pseudos and projwfc.x (lforcet=.true.)
Dear Christoph, Thank you very much for the suggestions. Have a nice day. G. Il giorno dom 6 gen 2019 alle ore 16:59 Christoph Wolf ha scritto: > short comment: Don Hamann recommended me to use the newer input files from > abinit for QE pseudos as well as the SG15 inputs are not recommended for > the new oncvpsp versions > > https://github.com/pipidog/ONCVPSP > > > HTH! > Chris > > -- > Postdoctoral Researcher > Center for Quantum Nanoscience, Institute for Basic Science > Ewha Womans University, Seoul, South Korea > ___ > users mailing list > users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users -- *** Guido Menichetti Post-Doc researcher in Solid State Physics Istituto Italiano di Tecnologia Graphene Labs: Theory and technology of 2D materials Address: Via Morego, 30, 16163 Genova Email: guido.meniche...@iit.it guido.meniche...@df.unipi.it menichetti.gu...@gmail.com ___ users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
Re: [QE-users] Issue with ONCV pseudos and projwfc.x (lforcet=.true.)
short comment: Don Hamann recommended me to use the newer input files from abinit for QE pseudos as well as the SG15 inputs are not recommended for the new oncvpsp versions https://github.com/pipidog/ONCVPSP HTH! Chris -- Postdoctoral Researcher Center for Quantum Nanoscience, Institute for Basic Science Ewha Womans University, Seoul, South Korea ___ users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
Re: [QE-users] Issue with ONCV pseudos and projwfc.x (lforcet=.true.)
Hi Giuseppe, Thank you very much for the warning! I will ask Lorenzo for advices. Have a nice day Il giorno gio 3 gen 2019 alle ore 16:33 Giuseppe Mattioli < giuseppe.matti...@ism.cnr.it> ha scritto: > > Dear Andrea and Guido > I would add further warning: test the pseudos, because I’ve obtained > different total energies for the same species and input by building > the oncvpp code with different compilers, and even ghost states when > compiling 3.3.1 with gfortran 4.9 some time ago. Lorenzo Paulatto > rebuilt the entire sg15 library of ONCVPPs with the pseudo wave > functions, and I’m happily using his files. Maybe you can ask him, > because I cannot share them at the moment. > HTH > Giuseppe > > Guido Menichetti ha scritto: > > > Hi Andrea, > > > > Thank you very much for your help and the quick answer. > > > > I will try to re-build the pseudo following your recipe. > > > > Thank you again. > > Have a nice day > > > > G. > > > > Il giorno gio 3 gen 2019 alle ore 12:52 Andrea Ferretti < > > andrea.ferre...@unimore.it> ha scritto: > > > >> > >> > >> Hi Guido, > >> > >> I think the issue can be related to the lack of atomic orbitals in the > >> oncv upf files. > >> From the link you report, I see number_of_wfc="0" for all of the > >> pseudo's. > >> > >> (These are not the beta projectors, there by construction, but auxiliary > >> atomic orbitals needed for atomic projections, DFT+U, etc). > >> > >> If you really want to use these pseudos, a possible solution that worked > >> with us in the past is to simply regenerate the pseudo with a newer > >> version of the oncv code. > >> > >> For instance, the following procedure worked with me: > >> > >> * extract the oncv input file from the given UPF files without atomic > wfc > >> * download and compile a recent version of the oncv code (v3.2.3 worked > >>for me) > >> * adapt the PP input file to this version of oncv (if I remeber > correctly > >>a few input flags changed). Select upf output fmt > >> * re-generate the pseudo (a different and larger radial grid will > >>generated). Atomic wfcs should be there. > >> * possibly check that the two pseudos give almost identical results > >> > >> take care > >> Andrea > >> > >> > > >> > I have an issue with ONCV pseudopotentials (taken from > >> http://www.quantum-simulation.org/potentials/sg15_oncv/) and projwfc.x. > >> > > >> > I used qe-6.3, q-e-develop (updated 29/12/2018) versions to test this > >> issue. > >> > > >> > I used the example in PP/examples/ForceTheorem_example as simple test. > >> > Following the example, I ran pw.x < sr.in > sr.out_sg15 with the > >> scalar-relativistic pseudopotential. > >> > Then I ran pw.x < par.in > par.out_sg15 with the full relativistic > >> pseudo. > >> > At the end I ran projwfc.x < proj_par.in > proj_par.out but it > resturns: > >> > > >> > ** On entry to ZGEMM parameter number 13 had an illegal value > >> > > >> > The input and output files together with the pseudos are shared in the > >> following link. > >> > > >> > > >> > I hope you can help me to solve this issue. > >> > Thank you for your work, > >> > Kind Regards > >> > > >> > Guido > >> > > >> > -- > >> > *** > >> > Guido Menichetti > >> > Post-Doc researcher in Solid State Physics > >> > Istituto Italiano di Tecnologia > >> > Graphene Labs: Theory and technology of 2D materials > >> > Address: Via Morego, 30, 16163 Genova > >> > Email: guido.meniche...@iit.it > >> > guido.meniche...@df.unipi.it > >> > menichetti.gu...@gmail.com > >> > > >> > > >> > > >> > >> -- > >> Andrea Ferretti, PhD > >> S3 Center, Istituto Nanoscienze, CNR > >> via Campi 213/A, 41125, Modena, Italy > >> Tel: +39 059 2055322; Skype: andrea_ferretti > >> URL: http://www.nano.cnr.it > >> ___ > >> users mailing list > >> users@lists.quantum-espresso.org > >> https://lists.quantum-espresso.org/mailman/listinfo/users > > > > > > > > -- > > *** > > Guido Menichetti > > Post-Doc researcher in Solid State Physics > > Istituto Italiano di Tecnologia > > Graphene Labs: Theory and technology of 2D materials > > Address: Via Morego, 30, 16163 Genova > > Email: guido.meniche...@iit.it > > guido.meniche...@df.unipi.it > > menichetti.gu...@gmail.com > > > > > > 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 -- *** Guido Menichetti Post-Doc researcher in Solid State Physics Istituto Italiano di Tecnologia
Re: [QE-users] Issue with ONCV pseudos and projwfc.x (lforcet=.true.)
Dear Andrea and Guido I would add further warning: test the pseudos, because I’ve obtained different total energies for the same species and input by building the oncvpp code with different compilers, and even ghost states when compiling 3.3.1 with gfortran 4.9 some time ago. Lorenzo Paulatto rebuilt the entire sg15 library of ONCVPPs with the pseudo wave functions, and I’m happily using his files. Maybe you can ask him, because I cannot share them at the moment. HTH Giuseppe Guido Menichetti ha scritto: Hi Andrea, Thank you very much for your help and the quick answer. I will try to re-build the pseudo following your recipe. Thank you again. Have a nice day G. Il giorno gio 3 gen 2019 alle ore 12:52 Andrea Ferretti < andrea.ferre...@unimore.it> ha scritto: Hi Guido, I think the issue can be related to the lack of atomic orbitals in the oncv upf files. From the link you report, I see number_of_wfc="0" for all of the pseudo's. (These are not the beta projectors, there by construction, but auxiliary atomic orbitals needed for atomic projections, DFT+U, etc). If you really want to use these pseudos, a possible solution that worked with us in the past is to simply regenerate the pseudo with a newer version of the oncv code. For instance, the following procedure worked with me: * extract the oncv input file from the given UPF files without atomic wfc * download and compile a recent version of the oncv code (v3.2.3 worked for me) * adapt the PP input file to this version of oncv (if I remeber correctly a few input flags changed). Select upf output fmt * re-generate the pseudo (a different and larger radial grid will generated). Atomic wfcs should be there. * possibly check that the two pseudos give almost identical results take care Andrea > > I have an issue with ONCV pseudopotentials (taken from http://www.quantum-simulation.org/potentials/sg15_oncv/) and projwfc.x. > > I used qe-6.3, q-e-develop (updated 29/12/2018) versions to test this issue. > > I used the example in PP/examples/ForceTheorem_example as simple test. > Following the example, I ran pw.x < sr.in > sr.out_sg15 with the scalar-relativistic pseudopotential. > Then I ran pw.x < par.in > par.out_sg15 with the full relativistic pseudo. > At the end I ran projwfc.x < proj_par.in > proj_par.out but it resturns: > > ** On entry to ZGEMM parameter number 13 had an illegal value > > The input and output files together with the pseudos are shared in the following link. > > > I hope you can help me to solve this issue. > Thank you for your work, > Kind Regards > > Guido > > -- > *** > Guido Menichetti > Post-Doc researcher in Solid State Physics > Istituto Italiano di Tecnologia > Graphene Labs: Theory and technology of 2D materials > Address: Via Morego, 30, 16163 Genova > Email: guido.meniche...@iit.it > guido.meniche...@df.unipi.it > menichetti.gu...@gmail.com > > > -- Andrea Ferretti, PhD S3 Center, Istituto Nanoscienze, CNR via Campi 213/A, 41125, Modena, Italy Tel: +39 059 2055322; Skype: andrea_ferretti URL: http://www.nano.cnr.it ___ users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users -- *** Guido Menichetti Post-Doc researcher in Solid State Physics Istituto Italiano di Tecnologia Graphene Labs: Theory and technology of 2D materials Address: Via Morego, 30, 16163 Genova Email: guido.meniche...@iit.it guido.meniche...@df.unipi.it menichetti.gu...@gmail.com 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
Re: [QE-users] Issue with ONCV pseudos and projwfc.x (lforcet=.true.)
Hi Andrea, Thank you very much for your help and the quick answer. I will try to re-build the pseudo following your recipe. Thank you again. Have a nice day G. Il giorno gio 3 gen 2019 alle ore 12:52 Andrea Ferretti < andrea.ferre...@unimore.it> ha scritto: > > > Hi Guido, > > I think the issue can be related to the lack of atomic orbitals in the > oncv upf files. > From the link you report, I see number_of_wfc="0" for all of the > pseudo's. > > (These are not the beta projectors, there by construction, but auxiliary > atomic orbitals needed for atomic projections, DFT+U, etc). > > If you really want to use these pseudos, a possible solution that worked > with us in the past is to simply regenerate the pseudo with a newer > version of the oncv code. > > For instance, the following procedure worked with me: > > * extract the oncv input file from the given UPF files without atomic wfc > * download and compile a recent version of the oncv code (v3.2.3 worked >for me) > * adapt the PP input file to this version of oncv (if I remeber correctly >a few input flags changed). Select upf output fmt > * re-generate the pseudo (a different and larger radial grid will >generated). Atomic wfcs should be there. > * possibly check that the two pseudos give almost identical results > > take care > Andrea > > > > > I have an issue with ONCV pseudopotentials (taken from > http://www.quantum-simulation.org/potentials/sg15_oncv/) and projwfc.x. > > > > I used qe-6.3, q-e-develop (updated 29/12/2018) versions to test this > issue. > > > > I used the example in PP/examples/ForceTheorem_example as simple test. > > Following the example, I ran pw.x < sr.in > sr.out_sg15 with the > scalar-relativistic pseudopotential. > > Then I ran pw.x < par.in > par.out_sg15 with the full relativistic > pseudo. > > At the end I ran projwfc.x < proj_par.in > proj_par.out but it resturns: > > > > ** On entry to ZGEMM parameter number 13 had an illegal value > > > > The input and output files together with the pseudos are shared in the > following link. > > > > > > I hope you can help me to solve this issue. > > Thank you for your work, > > Kind Regards > > > > Guido > > > > -- > > *** > > Guido Menichetti > > Post-Doc researcher in Solid State Physics > > Istituto Italiano di Tecnologia > > Graphene Labs: Theory and technology of 2D materials > > Address: Via Morego, 30, 16163 Genova > > Email: guido.meniche...@iit.it > > guido.meniche...@df.unipi.it > > menichetti.gu...@gmail.com > > > > > > > > -- > Andrea Ferretti, PhD > S3 Center, Istituto Nanoscienze, CNR > via Campi 213/A, 41125, Modena, Italy > Tel: +39 059 2055322; Skype: andrea_ferretti > URL: http://www.nano.cnr.it > ___ > users mailing list > users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users -- *** Guido Menichetti Post-Doc researcher in Solid State Physics Istituto Italiano di Tecnologia Graphene Labs: Theory and technology of 2D materials Address: Via Morego, 30, 16163 Genova Email: guido.meniche...@iit.it guido.meniche...@df.unipi.it menichetti.gu...@gmail.com ___ users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
Re: [QE-users] Issue with ONCV pseudos and projwfc.x (lforcet=.true.)
Hi Guido, I think the issue can be related to the lack of atomic orbitals in the oncv upf files. From the link you report, I see number_of_wfc="0" for all of the pseudo's. (These are not the beta projectors, there by construction, but auxiliary atomic orbitals needed for atomic projections, DFT+U, etc). If you really want to use these pseudos, a possible solution that worked with us in the past is to simply regenerate the pseudo with a newer version of the oncv code. For instance, the following procedure worked with me: * extract the oncv input file from the given UPF files without atomic wfc * download and compile a recent version of the oncv code (v3.2.3 worked for me) * adapt the PP input file to this version of oncv (if I remeber correctly a few input flags changed). Select upf output fmt * re-generate the pseudo (a different and larger radial grid will generated). Atomic wfcs should be there. * possibly check that the two pseudos give almost identical results take care Andrea I have an issue with ONCV pseudopotentials (taken from http://www.quantum-simulation.org/potentials/sg15_oncv/) and projwfc.x. I used qe-6.3, q-e-develop (updated 29/12/2018) versions to test this issue. I used the example in PP/examples/ForceTheorem_example as simple test. Following the example, I ran pw.x < sr.in > sr.out_sg15 with the scalar-relativistic pseudopotential. Then I ran pw.x < par.in > par.out_sg15 with the full relativistic pseudo. At the end I ran projwfc.x < proj_par.in > proj_par.out but it resturns: ** On entry to ZGEMM parameter number 13 had an illegal value The input and output files together with the pseudos are shared in the following link. I hope you can help me to solve this issue. Thank you for your work, Kind Regards Guido -- *** Guido Menichetti Post-Doc researcher in Solid State Physics Istituto Italiano di Tecnologia Graphene Labs: Theory and technology of 2D materials Address: Via Morego, 30, 16163 Genova Email: guido.meniche...@iit.it guido.meniche...@df.unipi.it menichetti.gu...@gmail.com -- Andrea Ferretti, PhD S3 Center, Istituto Nanoscienze, CNR via Campi 213/A, 41125, Modena, Italy Tel: +39 059 2055322; Skype: andrea_ferretti URL: http://www.nano.cnr.it ___ users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
