VASP WAVECAR

Come here to discuss issues with using the p2y converter from PWscf to Yambo, how to best run PWscf , link with the IOTK library, and so on.

Moderators: andrea.ferretti, Conor Hogan

Forum rules
Before posting, make sure to first read carefully all the detailed steps and suggestions given in the main documentation:
https://www.yambo-code.eu/learn/#learn-forum
Post Reply
BasantAli
Posts: 1
Joined: Tue Oct 24, 2023 5:12 pm
Location: USA
Contact:

VASP WAVECAR

Post by BasantAli » Sat Mar 16, 2024 6:24 am

Hi all,

I am preparing to use the Yambo code. However, my work is based on VASP calculations.

Is there any chance I can use the WAVECAR from VASP to generate the wavefunction needed to start the GW calculations?

Thank you in advance.

Best Regards,
Basant

Dr. Basant A. Ali
Postdoctoral Associate, CU Boulder
USA
Last edited by BasantAli on Mon Mar 18, 2024 6:36 pm, edited 2 times in total.

User avatar
Daniele Varsano
Posts: 3816
Joined: Tue Mar 17, 2009 2:23 pm
Contact:

Re: VASP WAVECAR

Post by Daniele Varsano » Mon Mar 18, 2024 9:46 am

Dear Basant,
please sign your post with your name and affiliation, this is a rule of the forum, and you can do once for all by filling your signature in the user profile.

At moment, Yambo is interfaced with Quantum Espresso and Abinit, and VASP it is not supported. Should be not too complicated anyway to repeat your ground state calculation with one of the two codes mentioned above.

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/

Post Reply