Re: [QE-users] “Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response”

[Mpayami via users]

Dear Iurii,

Hi.
Thank you so much.
You are right. I just followed the video and not the slide. It is OK.
Cheers,
Mahmoud



- Original Message -
From: Iurii TIMROV (iurii.tim...@epfl.ch)
Date: 09/12/1401 15:30
To: Mpayami (mpay...@aeoi.org.ir), Quantum ESPRESSO users Forum 
(users@lists.quantum-espresso.org)
Subject: Re: [QE-users] “Advanced Quantum ESPRESSO tutorial: Hubbard and 
Koopmans functionals from linear response”


There is no mistake there. The DFT+Hubbard hands-on was split into two parts 
(due to a lunch break), so the PDF file is the same and repeated twice (just 
scroll it and find the required section).





Iurii


--
Dr. Iurii TIMROV
Senior Research Scientist
Theory and Simulation of Materials (THEOS)
Swiss Federal Institute of Technology Lausanne (EPFL)
CH-1015 Lausanne, Switzerland
+41 21 69 34 881
http://people.epfl.ch/265334

From: users  on behalf of Mpayami via 
users 
Sent: Tuesday, February 28, 2023 8:32:10 AM
To: Quantum ESPRESSO users Forum
Subject:[QE-users] “Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans 
functionals from linear response”
 

To Whom It May Concern:

Hi.
Kindly, the some of documents of “Advanced Quantum ESPRESSO tutorial: Hubbard 
and Koopmans functionals from linear response” which has been uploaded to 
"Materials Cloud" are not what supposed to be:
For example,
QE tutorial 2022 - Hands-on: DFT+U and DFT+U+V: How does it work? - Iurii 
Timrov & Matteo Cococcioni
 is not the right one.
I would be grateful for any assistance.

Best regards,
Mahmoud Payami

NSTRI, AEOI
Tehran, Iran
Email: mpay...@aeoi.org.ir
Phone: +98(0)2182066504


___
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
___
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users

Re: [QE-users] “Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response”

[Iurii TIMROV via users]

There is no mistake there. The DFT+Hubbard hands-on was split into two parts 
(due to a lunch break), so the PDF file is the same and repeated twice (just 
scroll it and find the required section).


Iurii


--
Dr. Iurii TIMROV
Senior Research Scientist
Theory and Simulation of Materials (THEOS)
Swiss Federal Institute of Technology Lausanne (EPFL)
CH-1015 Lausanne, Switzerland
+41 21 69 34 881
http://people.epfl.ch/265334

From: users  on behalf of Mpayami via 
users 
Sent: Tuesday, February 28, 2023 8:32:10 AM
To: Quantum ESPRESSO users Forum
Subject: [QE-users] “Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans 
functionals from linear response”

To Whom It May Concern:

Hi.
Kindly, the some of documents of “Advanced Quantum ESPRESSO tutorial: Hubbard 
and Koopmans functionals from linear response” which has been uploaded to 
"Materials Cloud" are not what supposed to be:
For example,
QE tutorial 2022 - Hands-on: DFT+U and DFT+U+V: How does it work? - Iurii 
Timrov & Matteo Cococcioni
 is not the right one.
I would be grateful for any assistance.

Best regards,
Mahmoud Payami

NSTRI, AEOI
Tehran, Iran
Email: mpay...@aeoi.org.ir
Phone: +98(0)2182066504

___
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
___
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users

[QE-users] “Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response”

[Mpayami via users]

To Whom It May Concern:

Hi.
Kindly, the some of documents of “Advanced Quantum ESPRESSO tutorial: Hubbard 
and Koopmans functionals from linear response” which has been uploaded to 
"Materials Cloud" are not what supposed to be:
For example,
QE tutorial 2022 - Hands-on: DFT+U and DFT+U+V: How does it work? - Iurii 
Timrov & Matteo Cococcioni
 is not the right one.
I would be grateful for any assistance.

Best regards,

Mahmoud Payami

NSTRI, AEOI
Tehran, Iran
Email: mpay...@aeoi.org.ir
Phone: +98(0)2182066504


___
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
___
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users

Re: [QE-users] Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response

[Iurii TIMROV via users]

Dear Tersoo,


The registration info can be found here: 
https://sites.google.com/view/hubbard-koopmans/registration


Greetings,

Iurii


--
Dr. Iurii TIMROV
Senior Research Scientist
Theory and Simulation of Materials (THEOS)
Swiss Federal Institute of Technology Lausanne (EPFL)
CH-1015 Lausanne, Switzerland
+41 21 69 34 881
http://people.epfl.ch/265334

From: TERSOO ATSUE 
Sent: Wednesday, September 21, 2022 10:06:24 AM
To: Iurii TIMROV; Quantum ESPRESSO users Forum
Subject: Re: [QE-users] Advanced Quantum ESPRESSO tutorial: Hubbard and 
Koopmans functionals from linear response

Hi, Iurii,
Good day.
On the announcement for this tutorial, I couldn't find a link for registration.
How can one register for the tutorial?
Thank you.

Tersoo Atsue.
Department of Physics,
Federal University Dutsin-ma.

On Wed, Sep 21, 2022, 8:56 AM Iurii TIMROV via users 
mailto:users@lists.quantum-espresso.org>> 
wrote:

Hi Stephen,


> Will the tutorial sessions also be recorded and published online?


Yes! All info about the recorded lectures and hands-on will be available on the 
website of the event: 
https://sites.google.com/view/hubbard-koopmans<https://urldefense.us/v3/__https:/sites.google.com/view/hubbard-koopmans__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopAEyCQ_Y$>


Greetings,

Iurii


P.S.: In the announcement there was a typo, the correct phrase is "Registration 
is free of charge".


--
Dr. Iurii TIMROV
Senior Research Scientist
Theory and Simulation of Materials (THEOS)
Swiss Federal Institute of Technology Lausanne (EPFL)
CH-1015 Lausanne, Switzerland
+41 21 69 34 881
http://people.epfl.ch/265334

From: Weitzner, Stephen Eric mailto:weitzn...@llnl.gov>>
Sent: Tuesday, September 20, 2022 8:52:40 PM
To: Iurii TIMROV; Quantum ESPRESSO users Forum
Subject: Re: [QE-users] Advanced Quantum ESPRESSO tutorial: Hubbard and 
Koopmans functionals from linear response

Hi Iurii,

Will the tutorial sessions also be recorded and published online?

Cheers,
Stephen

——
Stephen Weitzner, PhD
Staff Scientist
Quantum Simulations Group
Materials Science Division
Lawrence Livermore National Laboratory



From: users 
mailto:users-boun...@lists.quantum-espresso.org>>
 on behalf of Iurii TIMROV via users 
mailto:users@lists.quantum-espresso.org>>
Reply-To: Iurii TIMROV mailto:iurii.tim...@epfl.ch>>, 
Quantum ESPRESSO users Forum 
mailto:users@lists.quantum-espresso.org>>
Date: Tuesday, September 20, 2022 at 6:23 AM
To: "users@lists.quantum-espresso.org<mailto:users@lists.quantum-espresso.org>" 
mailto:users@lists.quantum-espresso.org>>
Subject: Re: [QE-users] Advanced Quantum ESPRESSO tutorial: Hubbard and 
Koopmans functionals from linear response

Dear Quantum ESPRESSO community,

This is a reminder about the "Advanced Quantum ESPRESSO tutorial: Hubbard and 
Koopmans functionals from linear response": 
https://sites.google.com/view/hubbard-koopmans<https://urldefense.us/v3/__https:/sites.google.com/view/hubbard-koopmans__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopAEyCQ_Y$>

Dates: 9-11 November 2022
Format: Online
Registration is fee of charge
Deadline for applications: 1 October 2022
Goal: To introduce PhD students, postdocs, and junior scientists to the use of 
advanced functionals aimed at modeling complex materials, such as the extended 
Hubbard and Koopmans functionals. By eliminating self-interaction errors and 
restoring total energy piecewise linearity, these advances broaden the scope of 
DFT by either improving the ground-state description of transition-metal and 
rare-earth compounds or by giving access to accurate spectral properties (like 
fundamental band gaps and band structures). Their actual implementation also 
takes advantage of linear-response theory through the self-consistent 
incarnation contained in density-functional perturbation theory.
Program: The first day of the tutorial will be devoted to an introduction to 
fundamental aspects of DFT using local and semi-local functionals, its 
application to materials science and physics, and its limitations. In the next 
2 days, the tutorial will cover the theoretical framework of Hubbard and 
Koopmans functionals (the main topic of this event) and their applications to 
representative case studies. The reference computational platform of the 
tutorial will be Quantum ESPRESSO, a widely used open-source 
electronic-structure software, which implements both extended Hubbard and 
Koopmans functionals.
Hands-on: We will use the Quantum Mobile. All participants need to install the 
Quantum Mobile prior to the tutorial in order to be admitted to the hands-on 
part. Moreover, the participants must be familiar with the Unix commands in 
order to be able to attend the hands-on. More information will follow when 
confirming your participation 

Re: [QE-users] Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response

[TERSOO ATSUE]

Hi, Iurii,
Good day.
On the announcement for this tutorial, I couldn't find a link for
registration.
How can one register for the tutorial?
Thank you.

Tersoo Atsue.
Department of Physics,
Federal University Dutsin-ma.

On Wed, Sep 21, 2022, 8:56 AM Iurii TIMROV via users <
users@lists.quantum-espresso.org> wrote:

> Hi Stephen,
>
>
> > Will the tutorial sessions also be recorded and published online?
>
>
> Yes! All info about the recorded lectures and hands-on will be available
> on the website of the event:
> https://sites.google.com/view/hubbard-koopmans
> <https://urldefense.us/v3/__https:/sites.google.com/view/hubbard-koopmans__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopAEyCQ_Y$>
>
>
> Greetings,
>
> Iurii
>
>
> P.S.: In the announcement there was a typo, the correct phrase is 
> "*Registration
> is free of charge*".
>
>
> --
> Dr. Iurii TIMROV
> Senior Research Scientist
> Theory and Simulation of Materials (THEOS)
> Swiss Federal Institute of Technology Lausanne (EPFL)
> CH-1015 Lausanne, Switzerland
> +41 21 69 34 881
> http://people.epfl.ch/265334
> --
> *From:* Weitzner, Stephen Eric 
> *Sent:* Tuesday, September 20, 2022 8:52:40 PM
> *To:* Iurii TIMROV; Quantum ESPRESSO users Forum
> *Subject:* Re: [QE-users] Advanced Quantum ESPRESSO tutorial: Hubbard and
> Koopmans functionals from linear response
>
>
> Hi Iurii,
>
>
>
> Will the tutorial sessions also be recorded and published online?
>
>
>
> Cheers,
>
> Stephen
>
>
>
> ——
>
> Stephen Weitzner, PhD
>
> *Staff Scientist*
>
> Quantum Simulations Group
>
> Materials Science Division
>
> Lawrence Livermore National Laboratory
>
>
>
>
>
>
>
> *From: *users  on behalf of
> Iurii TIMROV via users 
> *Reply-To: *Iurii TIMROV , Quantum ESPRESSO users
> Forum 
> *Date: *Tuesday, September 20, 2022 at 6:23 AM
> *To: *"users@lists.quantum-espresso.org"  >
> *Subject: *Re: [QE-users] Advanced Quantum ESPRESSO tutorial: Hubbard and
> Koopmans functionals from linear response
>
>
>
> Dear Quantum ESPRESSO community,
>
>
>
> This is a reminder about the "Advanced Quantum ESPRESSO tutorial: Hubbard
> and Koopmans functionals from linear response":
> https://sites.google.com/view/hubbard-koopmans
> <https://urldefense.us/v3/__https:/sites.google.com/view/hubbard-koopmans__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopAEyCQ_Y$>
>
>
>
> *Dates:* 9-11 November 2022
>
> *Format:* Online
>
> *Registration is fee of charge*
>
> *Deadline for applications:* 1 October 2022
>
> *Goal:* To introduce PhD students, postdocs, and junior scientists to the
> use of advanced functionals aimed at modeling complex materials, such as
> the extended Hubbard and Koopmans functionals. By eliminating
> self-interaction errors and restoring total energy piecewise linearity,
> these advances broaden the scope of DFT by either improving the
> ground-state description of transition-metal and rare-earth compounds or by
> giving access to accurate spectral properties (like fundamental band gaps
> and band structures). Their actual implementation also takes advantage of
> linear-response theory through the self-consistent incarnation contained in
> density-functional perturbation theory.
>
> *Program:* The first day of the tutorial will be devoted to an
> introduction to fundamental aspects of DFT using local and semi-local
> functionals, its application to materials science and physics, and its
> limitations. In the next 2 days, the tutorial will cover the theoretical
> framework of Hubbard and Koopmans functionals (the main topic of this
> event) and their applications to representative case studies. The reference
> computational platform of the tutorial will be Quantum ESPRESSO, a widely
> used open-source electronic-structure software, which implements both
> extended Hubbard and Koopmans functionals.
>
> *Hands-on:* We will use the Quantum Mobile. All participants need to
> install the Quantum Mobile prior to the tutorial in order to be admitted to
> the hands-on part. Moreover, the participants must be familiar with the
> Unix commands in order to be able to attend the hands-on. More information
> will follow when confirming your participation by email after October, 1st.
>
> *Keynote speakers:*
>
> *Leoor Kronik*
> <https://urldefense.us/v3/__https:/fhrc.huji.ac.il/people/leeor-kronik__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScop3gChB0c$>
>  (Weizmann
> Institute of Science, Israel)
>
>

Re: [QE-users] Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response

[Iurii TIMROV via users]

Hi Stephen,


> Will the tutorial sessions also be recorded and published online?


Yes! All info about the recorded lectures and hands-on will be available on the 
website of the event: 
https://sites.google.com/view/hubbard-koopmans<https://urldefense.us/v3/__https:/sites.google.com/view/hubbard-koopmans__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopAEyCQ_Y$>


Greetings,

Iurii


P.S.: In the announcement there was a typo, the correct phrase is "Registration 
is free of charge".


--
Dr. Iurii TIMROV
Senior Research Scientist
Theory and Simulation of Materials (THEOS)
Swiss Federal Institute of Technology Lausanne (EPFL)
CH-1015 Lausanne, Switzerland
+41 21 69 34 881
http://people.epfl.ch/265334

From: Weitzner, Stephen Eric 
Sent: Tuesday, September 20, 2022 8:52:40 PM
To: Iurii TIMROV; Quantum ESPRESSO users Forum
Subject: Re: [QE-users] Advanced Quantum ESPRESSO tutorial: Hubbard and 
Koopmans functionals from linear response

Hi Iurii,

Will the tutorial sessions also be recorded and published online?

Cheers,
Stephen

——
Stephen Weitzner, PhD
Staff Scientist
Quantum Simulations Group
Materials Science Division
Lawrence Livermore National Laboratory



From: users  on behalf of Iurii 
TIMROV via users 
Reply-To: Iurii TIMROV , Quantum ESPRESSO users Forum 

Date: Tuesday, September 20, 2022 at 6:23 AM
To: "users@lists.quantum-espresso.org" 
Subject: Re: [QE-users] Advanced Quantum ESPRESSO tutorial: Hubbard and 
Koopmans functionals from linear response

Dear Quantum ESPRESSO community,

This is a reminder about the "Advanced Quantum ESPRESSO tutorial: Hubbard and 
Koopmans functionals from linear response": 
https://sites.google.com/view/hubbard-koopmans<https://urldefense.us/v3/__https:/sites.google.com/view/hubbard-koopmans__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopAEyCQ_Y$>

Dates: 9-11 November 2022
Format: Online
Registration is fee of charge
Deadline for applications: 1 October 2022
Goal: To introduce PhD students, postdocs, and junior scientists to the use of 
advanced functionals aimed at modeling complex materials, such as the extended 
Hubbard and Koopmans functionals. By eliminating self-interaction errors and 
restoring total energy piecewise linearity, these advances broaden the scope of 
DFT by either improving the ground-state description of transition-metal and 
rare-earth compounds or by giving access to accurate spectral properties (like 
fundamental band gaps and band structures). Their actual implementation also 
takes advantage of linear-response theory through the self-consistent 
incarnation contained in density-functional perturbation theory.
Program: The first day of the tutorial will be devoted to an introduction to 
fundamental aspects of DFT using local and semi-local functionals, its 
application to materials science and physics, and its limitations. In the next 
2 days, the tutorial will cover the theoretical framework of Hubbard and 
Koopmans functionals (the main topic of this event) and their applications to 
representative case studies. The reference computational platform of the 
tutorial will be Quantum ESPRESSO, a widely used open-source 
electronic-structure software, which implements both extended Hubbard and 
Koopmans functionals.
Hands-on: We will use the Quantum Mobile. All participants need to install the 
Quantum Mobile prior to the tutorial in order to be admitted to the hands-on 
part. Moreover, the participants must be familiar with the Unix commands in 
order to be able to attend the hands-on. More information will follow when 
confirming your participation by email after October, 1st.
Keynote speakers:
Leoor 
Kronik<https://urldefense.us/v3/__https:/fhrc.huji.ac.il/people/leeor-kronik__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScop3gChB0c$>
 (Weizmann Institute of Science, Israel)
Renata 
Wentzcovitch<https://urldefense.us/v3/__https:/www.apam.columbia.edu/faculty/renata-wentzcovitch__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopAo4VrBs$>
 (Columbia University, USA)
Matteo 
Gatti<https://urldefense.us/v3/__https:/etsf.polytechnique.fr/People/Matteo__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopyvH3eRc$>
 (École Polytechnique, France)
Lecturers:
Nicola 
Marzari<https://urldefense.us/v3/__https:/people.epfl.ch/nicola.marzari__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScoptl25ykI$>
 (EPFL and PSI, Switzerland)
Giovanni 
Pizzi<https://urldefense.us/v3/__https:/people.epfl.ch/giovanni.pizzi__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopv81iNZY$>
 (EPFL and PSI, Switzerland)
Edward 
Linscott<https://urldefense.us/v3/__https:/people.epfl.ch/edward.linscott__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQH

Re: [QE-users] Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response

[Weitzner, Stephen Eric via users]

Hi Iurii,

Will the tutorial sessions also be recorded and published online?

Cheers,
Stephen

——
Stephen Weitzner, PhD
Staff Scientist
Quantum Simulations Group
Materials Science Division
Lawrence Livermore National Laboratory



From: users  on behalf of Iurii 
TIMROV via users 
Reply-To: Iurii TIMROV , Quantum ESPRESSO users Forum 

Date: Tuesday, September 20, 2022 at 6:23 AM
To: "users@lists.quantum-espresso.org" 
Subject: Re: [QE-users] Advanced Quantum ESPRESSO tutorial: Hubbard and 
Koopmans functionals from linear response

Dear Quantum ESPRESSO community,

This is a reminder about the "Advanced Quantum ESPRESSO tutorial: Hubbard and 
Koopmans functionals from linear response": 
https://sites.google.com/view/hubbard-koopmans<https://urldefense.us/v3/__https:/sites.google.com/view/hubbard-koopmans__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopAEyCQ_Y$>

Dates: 9-11 November 2022
Format: Online
Registration is fee of charge
Deadline for applications: 1 October 2022
Goal: To introduce PhD students, postdocs, and junior scientists to the use of 
advanced functionals aimed at modeling complex materials, such as the extended 
Hubbard and Koopmans functionals. By eliminating self-interaction errors and 
restoring total energy piecewise linearity, these advances broaden the scope of 
DFT by either improving the ground-state description of transition-metal and 
rare-earth compounds or by giving access to accurate spectral properties (like 
fundamental band gaps and band structures). Their actual implementation also 
takes advantage of linear-response theory through the self-consistent 
incarnation contained in density-functional perturbation theory.
Program: The first day of the tutorial will be devoted to an introduction to 
fundamental aspects of DFT using local and semi-local functionals, its 
application to materials science and physics, and its limitations. In the next 
2 days, the tutorial will cover the theoretical framework of Hubbard and 
Koopmans functionals (the main topic of this event) and their applications to 
representative case studies. The reference computational platform of the 
tutorial will be Quantum ESPRESSO, a widely used open-source 
electronic-structure software, which implements both extended Hubbard and 
Koopmans functionals.
Hands-on: We will use the Quantum Mobile. All participants need to install the 
Quantum Mobile prior to the tutorial in order to be admitted to the hands-on 
part. Moreover, the participants must be familiar with the Unix commands in 
order to be able to attend the hands-on. More information will follow when 
confirming your participation by email after October, 1st.
Keynote speakers:
Leoor 
Kronik<https://urldefense.us/v3/__https:/fhrc.huji.ac.il/people/leeor-kronik__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScop3gChB0c$>
 (Weizmann Institute of Science, Israel)
Renata 
Wentzcovitch<https://urldefense.us/v3/__https:/www.apam.columbia.edu/faculty/renata-wentzcovitch__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopAo4VrBs$>
 (Columbia University, USA)
Matteo 
Gatti<https://urldefense.us/v3/__https:/etsf.polytechnique.fr/People/Matteo__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopyvH3eRc$>
 (École Polytechnique, France)
Lecturers:
Nicola 
Marzari<https://urldefense.us/v3/__https:/people.epfl.ch/nicola.marzari__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScoptl25ykI$>
 (EPFL and PSI, Switzerland)
Giovanni 
Pizzi<https://urldefense.us/v3/__https:/people.epfl.ch/giovanni.pizzi__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopv81iNZY$>
 (EPFL and PSI, Switzerland)
Edward 
Linscott<https://urldefense.us/v3/__https:/people.epfl.ch/edward.linscott__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScop4O46E0c$>
 (EPFL, Switzerland)
Iurii 
Timrov<https://urldefense.us/v3/__https:/people.epfl.ch/iurii.timrov__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopObDp1FI$>
 (EPFL, Switzerland)
Nicola 
Colonna<https://urldefense.us/v3/__https:/www.psi.ch/en/lns/people/nicola-colonna__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScoppFa5tDw$>
 (PSI, Switzerland)
Andrea 
Floris<https://urldefense.us/v3/__https:/staff.lincoln.ac.uk/afloris__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopYfC8K88$>
 (Lincoln University, UK)
Andrea 
Ferretti<https://urldefense.us/v3/__http:/max-centre.eu/andrea-ferretti-0__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiVlbkAAFhMEpuXbloRScopWdkkPV8$>
 (CNR Modena, Italy)
Matteo 
Cococcioni<https://urldefense.us/v3/__https:/fisica.unipv.it/personale/Persona.php?ID=505__;!!G2kpM7uM-TzIFchu!jiTXO3X5KO-TMaQXQEALu_LUQHRiw-5rAd6uBEiV

Re: [QE-users] Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response

[Iurii TIMROV via users]

Dear Quantum ESPRESSO community,

This is a reminder about the "Advanced Quantum ESPRESSO tutorial: Hubbard and 
Koopmans functionals from linear response": 
https://sites.google.com/view/hubbard-koopmans

Dates: 9-11 November 2022
Format: Online
Registration is fee of charge
Deadline for applications: 1 October 2022
Goal: To introduce PhD students, postdocs, and junior scientists to the use of 
advanced functionals aimed at modeling complex materials, such as the extended 
Hubbard and Koopmans functionals. By eliminating self-interaction errors and 
restoring total energy piecewise linearity, these advances broaden the scope of 
DFT by either improving the ground-state description of transition-metal and 
rare-earth compounds or by giving access to accurate spectral properties (like 
fundamental band gaps and band structures). Their actual implementation also 
takes advantage of linear-response theory through the self-consistent 
incarnation contained in density-functional perturbation theory.
Program: The first day of the tutorial will be devoted to an introduction to 
fundamental aspects of DFT using local and semi-local functionals, its 
application to materials science and physics, and its limitations. In the next 
2 days, the tutorial will cover the theoretical framework of Hubbard and 
Koopmans functionals (the main topic of this event) and their applications to 
representative case studies. The reference computational platform of the 
tutorial will be Quantum ESPRESSO, a widely used open-source 
electronic-structure software, which implements both extended Hubbard and 
Koopmans functionals.
Hands-on: We will use the Quantum Mobile. All participants need to install the 
Quantum Mobile prior to the tutorial in order to be admitted to the hands-on 
part. Moreover, the participants must be familiar with the Unix commands in 
order to be able to attend the hands-on. More information will follow when 
confirming your participation by email after October, 1st.
Keynote speakers:
Leoor Kronik (Weizmann Institute 
of Science, Israel)
Renata Wentzcovitch 
(Columbia University, USA)
Matteo Gatti (École Polytechnique, 
France)
Lecturers:
Nicola Marzari (EPFL and PSI, 
Switzerland)
Giovanni Pizzi (EPFL and PSI, 
Switzerland)
Edward Linscott (EPFL, Switzerland)
Iurii Timrov (EPFL, Switzerland)
Nicola Colonna (PSI, 
Switzerland)
Andrea Floris (Lincoln University, UK)
Andrea Ferretti (CNR Modena, Italy)
Matteo Cococcioni 
(University of Pavia, Italy)
Yours sincerely,
Iurii Timrov, Nicola Colonna, Matteo Cococcioni, and Andrea Ferretti



From: Iurii TIMROV
Sent: Friday, July 29, 2022 11:02:37 AM
To: users@lists.quantum-espresso.org
Subject: Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals 
from linear response


Dear Quantum ESPRESSO community,


We are pleased to announce  the "Advanced Quantum ESPRESSO tutorial: Hubbard 
and Koopmans functionals from linear response".


Dates: 9-11 November 2022

Format: Online

Registration fee: 0 (free of charge)

Deadline for applications: 1 October 2022

Website of the event: https://sites.google.com/view/hubbard-koopmans


The goal of this tutorial is to introduce PhD students, postdocs, and junior 
scientists to the use of advanced functionals aimed at modeling complex 
materials, such as the extended Hubbard and Koopmans functionals. By 
eliminating self-interaction errors and restoring total energy piecewise 
linearity, these advances broaden the scope of DFT by either improving the 
ground-state description of transition-metal and rare-earth compounds or by 
giving access to accurate spectral properties (like fundamental band gaps and 
band structures). Their actual implementation also takes advantage of 
linear-response theory through the self-consistent incarnation contained in 
density-functional perturbation theory. The first day of the tutorial will be 
devoted to an introduction to fundamental aspects of DFT using local and 
semi-local functionals, its application to materials science and physics, and 
its limitations. In the next 2 days, the tutorial will cover the theoretical 
framework of Hubbard and Koopmans functionals (the main topic of this event) 
and their applications to representative case studies. The reference 
computational platform of the tutorial will be Quantum ESPRESSO, a widely used 
open-source electronic-structure software, which implements both extended 
Hubbard and Koopmans functionals.


If attending the Psi-k 

Re: [QE-users] Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response

[Nicola Marzari via users]

Very nice! If you haven't already posted to Psi-k, highligt keynote 
speakers early on



On 29/07/2022 11:02, Iurii TIMROV via users wrote:

Dear Quantum ESPRESSO community,


We are pleased to announce the "Advanced Quantum ESPRESSO tutorial: 
Hubbard and Koopmans functionals from linear response".



**

*

Dates:9-11 November 2022

Format:Online

Registration fee: 0 (free of charge)

Deadline for applications:1 October 2022

Website of the event:https://sites.google.com/view/hubbard-koopmans 


*


**

*

The goal of this tutorial is to introduce PhD students, postdocs, and 
junior scientists to the use of advanced functionals aimed at modeling 
complex materials, such as the extended Hubbard and Koopmans 
functionals. By eliminating self-interaction errors and restoring total 
energy piecewise linearity, these advances broaden the scope of DFT by 
either improving the ground-state description of transition-metal and 
rare-earth compounds or by giving access to accurate spectral properties 
(like fundamental band gaps and band structures). Their actual 
implementation also takes advantage of linear-response theory through 
the self-consistent incarnation contained in density-functional 
perturbation theory. The first day of the tutorial will be devoted to an 
introduction to fundamental aspects of DFT using local and semi-local 
functionals, its application to materials science and physics, and its 
limitations. In the next 2 days, the tutorial will cover the theoretical 
framework of Hubbard and Koopmans functionals (the main topic of this 
event) and their applications to representative case studies. The 
reference computational platform of the tutorial will be Quantum 
ESPRESSO, a widely used open-source electronic-structure software, which 
implements both extended Hubbard and Koopmans functionals.



If attending the Psi-k conference in Lausanne, feel free to come and see 
us at the MARVEL and MaX booths to learn more about the virtual tutorial 
and the codes involved.


*
*

Keynote speakers:

Leoor Kronik (Weizmann 
Institute of Science, Israel)


Renata Wentzcovitch 
(Columbia 
University, USA)


Matteo Gatti (École 
Polytechnique, France)


*
*

Lecturers:

*

**

*

Nicola Marzari (EPFL and PSI, 
Switzerland)


Giovanni Pizzi (EPFL and PSI, 
Switzerland)


Edward Linscott (EPFL, Switzerland)

Iurii Timrov (EPFL, Switzerland)

Nicola Colonna (PSI, 
Switzerland)


Andrea Floris (Lincoln University, UK)

Andrea Ferretti (CNR Modena, Italy)

***
**

**Matteo Cococcioni 
(University of 
Pavia, Italy)**




**

*

Yours sincerely,

Iurii Timrov, Nicola Colonna, Matteo Cococcioni, and Andrea Ferretti

*


___
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
___
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users



--
--
Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
Director, National Centre for Competence in Research NCCR MARVEL, SNSF
Head, Laboratory for Materials Simulations, Paul Scherrer Institut
Contact info and websites at http://theossrv1.epfl.ch/Main/Contact
___
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
___
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users

[QE-users] Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response

[Iurii TIMROV via users]

Dear Quantum ESPRESSO community,


We are pleased to announce  the "Advanced Quantum ESPRESSO tutorial: Hubbard 
and Koopmans functionals from linear response".


Dates: 9-11 November 2022

Format: Online

Registration fee: 0 (free of charge)

Deadline for applications: 1 October 2022

Website of the event: https://sites.google.com/view/hubbard-koopmans


The goal of this tutorial is to introduce PhD students, postdocs, and junior 
scientists to the use of advanced functionals aimed at modeling complex 
materials, such as the extended Hubbard and Koopmans functionals. By 
eliminating self-interaction errors and restoring total energy piecewise 
linearity, these advances broaden the scope of DFT by either improving the 
ground-state description of transition-metal and rare-earth compounds or by 
giving access to accurate spectral properties (like fundamental band gaps and 
band structures). Their actual implementation also takes advantage of 
linear-response theory through the self-consistent incarnation contained in 
density-functional perturbation theory. The first day of the tutorial will be 
devoted to an introduction to fundamental aspects of DFT using local and 
semi-local functionals, its application to materials science and physics, and 
its limitations. In the next 2 days, the tutorial will cover the theoretical 
framework of Hubbard and Koopmans functionals (the main topic of this event) 
and their applications to representative case studies. The reference 
computational platform of the tutorial will be Quantum ESPRESSO, a widely used 
open-source electronic-structure software, which implements both extended 
Hubbard and Koopmans functionals.


If attending the Psi-k conference in Lausanne, feel free to come and see us at 
the MARVEL and MaX booths to learn more about the virtual tutorial and the 
codes involved.


Keynote speakers:

Leoor Kronik (Weizmann Institute 
of Science, Israel)

Renata Wentzcovitch 
(Columbia University, USA)

Matteo Gatti (École Polytechnique, 
France)


Lecturers:

Nicola Marzari (EPFL and PSI, 
Switzerland)

Giovanni Pizzi (EPFL and PSI, 
Switzerland)

Edward Linscott (EPFL, Switzerland)

Iurii Timrov (EPFL, Switzerland)

Nicola Colonna (PSI, 
Switzerland)

Andrea Floris (Lincoln University, UK)

Andrea Ferretti (CNR Modena, Italy)


Matteo Cococcioni 
(University of Pavia, Italy)



Yours sincerely,

Iurii Timrov, Nicola Colonna, Matteo Cococcioni, and Andrea Ferretti


___
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
___
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users