Re: [Wien] DMFT

2023-04-17 Thread Gavin Abo
Since the webpage at [1] shows Python (version 2) as a required package for DFT+ embedded DMFT (eDMFT), have you tried using that instead of Python3? Most recent Linux distributions probably still have a Python2 package. Take Ubuntu jammy 22.04 LTS as an example.  It has a Python2 package

Re: [Wien] DMFT

2023-04-17 Thread delamora via Wien
I tried the DFT+eDMFT but it seems that it is no longer compatible with Python3 This is what Kristjan Haule commented; Unfortunately DFT+eDMFT is not yet available with Python3. Kristjan So, are other options apart from TRIQS ? Saludos Pablo Hi, you can use

Re: [Wien] DMFT

2021-07-09 Thread gutowska
Hi, you can use either TRIQS as suggested before or DFT+eDMFT: http://hauleweb.rutgers.edu/tutorials/Overview.html For me, the DFT+eDMFT was easier to install, but it may depend on the software you already have on the machine. Best regards, Sylwia W dniu 09.07.2021 05:24, delamora

Re: [Wien] DMFT

2021-07-08 Thread mourad boujnah
You can try TRIQS as DMFT interface for wien2k. This is the link for more information: https://triqs.github.io/dft_tools/2.1.x/guide/conv_wien2k.html Good luck. El jue., 8 de julio de 2021 10:29 p. m., delamora escribió: > [image: Boxbe] This message is

Re: [Wien] DMFT

2014-10-14 Thread delamora
. De: wien-boun...@zeus.theochem.tuwien.ac.at wien-boun...@zeus.theochem.tuwien.ac.at en nombre de Elias Assmann elias.assm...@gmail.com Enviado: martes, 14 de octubre de 2014 07:56 a.m. Para: A Mailing list for WIEN2k users Asunto: Re: [Wien] DMFT On 10/13/2014 02:46 PM, delamora wrote: I

Re: [Wien] DMFT

2014-10-13 Thread Elias Assmann
Hi Pablo, On 10/13/2014 03:55 AM, delamora wrote: I want to include the DMFT into the calculations and apparently wannier90 does this type of calculations, but I cannot see how to do them. The wannier90 user-guide does not even mention DMFT. Is there a guide for these type

Re: [Wien] DMFT

2014-10-13 Thread delamora
: lunes, 13 de octubre de 2014 03:23 a.m. Para: A Mailing list for WIEN2k users Asunto: Re: [Wien] DMFT Hi Pablo, On 10/13/2014 03:55 AM, delamora wrote: I want to include the DMFT into the calculations and apparently wannier90 does this type of calculations, but I cannot see how to do

Re: [Wien] DMFT

2014-10-13 Thread Roberto Iglesias
Assmann elias.assm...@gmail.com Enviado: lunes, 13 de octubre de 2014 03:23 a.m. Para: A Mailing list for WIEN2k users Asunto: Re: [Wien] DMFT Hi Pablo, On 10/13/2014 03:55 AM, delamora wrote: I want to include the DMFT into the calculations and apparently wannier90 does this type