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VASP WAVECAR

Posted: Sat Mar 16, 2024 6:24 am
by BasantAli
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

Re: VASP WAVECAR

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