Is Bethe-Salpeter equation calculations of core excitation spectra embedded in YAMBO code? I mean can I calculate K, L etc. edge absorption spectra using BSE in YAMBO? I am quiet new to this code and your help will be very much appreciable.
with mant thanks and best regards
Soumyadeep
Core electron spectroscopy in YAMBO code
Moderators: myrta gruning, andrea marini, Daniele Varsano, Conor Hogan
-
soumyadeepghosh35
- Posts: 22
- Joined: Tue Jun 04, 2019 11:54 am
Core electron spectroscopy in YAMBO code
Soumyadeep Ghosh,
Senior Research Fellow,
HBNI-RRCAT, Indore, India-452013
Mob: (+91)9424664553
User Lab: 0731244-2580
Email: soumyadeepghosh35@gmail.com, soumyadeep@rrcat.gov.in
Senior Research Fellow,
HBNI-RRCAT, Indore, India-452013
Mob: (+91)9424664553
User Lab: 0731244-2580
Email: soumyadeepghosh35@gmail.com, soumyadeep@rrcat.gov.in
-
Daniele Varsano
- Posts: 3816
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: Core electron spectroscopy in YAMBO code
Dear Soumyadeep,
Yambo relies on pseudopotentials so core excitations are not accessible.
Best,
Daniele
Yambo relies on pseudopotentials so core excitations are not accessible.
Best,
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/