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- From: verstraete@pcpm.ucl.ac.be
- To: forum@abinit.org
- Subject: Re: [abinit-forum] How to set momentum-dependent pseudopotential
- Date: Wed, 27 Apr 2005 10:13:51 +0200 (CEST)
The maximum l for the core wavefunctions (hence the number of projectors) is set in the pseudopotential. Abinit will use all the projectors it finds (the number of projectors is different from the local component you choose: lmax can be up to d or f, while llocal is <= lmax). See the opium or FHI generator pages for information on how to make restricted pseudopotentials with only some l-channels, and the Infos/Psp_infos/psp* files in the distrib.
Matthieu
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Matthieu Verstraete mailto:verstraete@pcpm.ucl.ac.be PCPM, Boltzmann, pl. Croix du Sud, 1 tel: +32 10 47 33 59
B-1348 Louvain-la-Neuve Belgium fax: +32 10 47 34 52
- How to set momentum-dependent pseudopotential, zfhou, 04/27/2005
- Re: [abinit-forum] How to set momentum-dependent pseudopotential, verstraete, 04/27/2005
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