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lines changed Original file line number Diff line number Diff line change @@ -16,22 +16,20 @@ it will be automatically download as needed.
1616For example, the following code automatically downloads the pseudopotential
1717file for silicon of the [ stringent pseudodojo] ( http://www.pseudo-dojo.org/ )
1818family for LDA pseudopotentials
19- (referred to by the identifier ` pd_nc_sr_lda_stringent_0.4.1_upf ` )
19+ (referred to by the identifier ` dojo.nc.sr.lda.v0_4_1.oncvpsp3.standard.upf ` )
2020and places the full path to the downloaded pseudopotential file
2121into the ` filename ` variable:
2222
2323``` julia
2424using PseudoPotentialData
25- identifier = " pd_nc_sr_lda_stringent_0.4.1_upf "
25+ identifier = " dojo.nc.sr.lda.v0_4_1.oncvpsp3.standard.upf "
2626family = PseudoFamily (identifier)
27- filename = pseudofile ( family, :Si )
27+ filename = family[ :Si ]
2828```
2929
3030For a list of available identifiers see
3131``` julia
3232PseudoPotentialData. family_identifiers ()
3333```
34- More details on the meaning of these keys is given
35- in the README of the
36- [ PseudoLibrary] ( https://github.com/JuliaMolSim/PseudoLibrary/blob/7c4b71a3b9d70a229d757aa6d546ef22b83a85a9/README.md )
37- repository.
34+ Details on the naming convention of these keys and their respective
35+ meaning provides the [ PseudoPotentialData documenation] ( https://juliamolsim.github.io/PseudoPotentialData.jl/ ) .
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