[Pw_forum] R_Cut in pseudopotentials in QE website

david furman sirok4 at gmail.com
Mon Dec 10 08:59:25 CET 2012


Dear Espresso fans,

I've noticed some pseudopotentials (for example
O.pbe-mt.UPF<http://www.quantum-espresso.org/wp-content/uploads/upf_files/O.pbe-mt.UPF>
and O.pbe-mt_fhi.UPF<http://www.quantum-espresso.org/wp-content/uploads/upf_files/O.pbe-mt_fhi.UPF>)
in the PP library in QE website do not
contain radii cutoff and E_pseu in their valence configuration. (each
orbital cutoff is 0.0000 and so is E pseu).

Does this mean they were generated without a cutoff radii and pseudoziation
energy ?
Is this troublesome ? If so, under what circumstances ?

Thank's

-- 

*David Furman*
*
*
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