Dear Developers,
I did bse-yd for a spin polarized system
so I got 3 signs for spins (1, -1, ***) in the output file of ypp -e a!!!
What are their meaning??
1 means spin up but which of the rest is for spin down???
In the output of GW calculation (o.qp),
the spins are represented by 1 and ***!!!
Thank you in advance.
the sign of spins
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan
-
samaneh
- Posts: 165
- Joined: Tue Jan 21, 2014 9:03 am
the sign of spins
S. Ataei, PhD student at University of Tehran, Iran.
-
Daniele Varsano
- Posts: 4198
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: the sign of spins
Dear Samaneh,
thanks for posting,
it looks a problem of formatting, which release are you using and can you please attach the outputs?
Thanks,
Daniele
thanks for posting,
it looks a problem of formatting, which release are you using and can you please attach the outputs?
Thanks,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
-
samaneh
- Posts: 165
- Joined: Tue Jan 21, 2014 9:03 am
Re: the sign of spins
Dear Daniele,
Thank you for your reply.
I attached it here.
Thank you for your reply.
I attached it here.
You do not have the required permissions to view the files attached to this post.
S. Ataei, PhD student at University of Tehran, Iran.
-
Daniele Varsano
- Posts: 4198
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: the sign of spins
Dear Samaneh,
we will have a look to the reason of that.
Anyway, the "***" refers to the "-1" which is a notation for spin down.
Daniele
we will have a look to the reason of that.
Anyway, the "***" refers to the "-1" which is a notation for spin down.
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
-
Davide Sangalli
- Posts: 640
- Joined: Tue May 29, 2012 4:49 pm
- Location: Via Salaria Km 29.3, CP 10, 00016, Monterotondo Stazione, Italy
- Contact:
Re: the sign of spins
Dear Samaneh,
I see you are using yambo-4.0.2.
We released several bug-fixes with yambo-4.0.4:
http://qe-forge.org/gf/download/frsrele ... 107.tar.gz
Could you try that version and let us know if you still have such problem?
Kind regards,
Davide
I see you are using yambo-4.0.2.
We released several bug-fixes with yambo-4.0.4:
http://qe-forge.org/gf/download/frsrele ... 107.tar.gz
Could you try that version and let us know if you still have such problem?
Kind regards,
Davide
Davide Sangalli, PhD
CNR-ISM, Division of Ultrafast Processes in Materials (FLASHit) and MaX Centre
https://sites.google.com/view/davidesangalli
http://www.max-centre.eu/
CNR-ISM, Division of Ultrafast Processes in Materials (FLASHit) and MaX Centre
https://sites.google.com/view/davidesangalli
http://www.max-centre.eu/