Dear Developers

49 views
Skip to first unread message

yu kino

unread,
Jul 6, 2022, 10:54:50 AM7/6/22
to DMFTwDFT
Thanks for the wanderful code,
I have run successfully your examps in your papers (LaNiO3 and SrVO3). howerver, in my own systems, i encount problems. the DMFT iterations can not reach convergence. As shown in the following figs.  
dmft.png
i want to know the possble reasons.
thanks for you response.
Best wishes,
Xian-Yong

Uthpala Herath

unread,
Jul 7, 2022, 10:53:55 AM7/7/22
to yu kino, DMFTwDFT
Dear Xian-Yong, 

How many iterations have you run this for? 
Have you tried for 50+ iterations to see if it is reaching convergence?
This is very system dependent. 

Thank you, 

Best,
Uthpala

--
You received this message because you are subscribed to the Google Groups "DMFTwDFT" group.
To unsubscribe from this group and stop receiving emails from it, send an email to dmftwdft+u...@googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/dmftwdft/edaa1c62-cd10-4b40-901f-9078f0788a6bn%40googlegroups.com.


--
Uthpala Herath
Postdoctoral Associate
Department of Mechanical Engineering and Materials Science
Duke University
Durham, NC

Reply all
Reply to author
Forward
0 new messages