[Pw_forum] About ecutwfc and ecutrho again

[Nicola Marzari]

Axel Kohlmeyer wrote:

> if you are using the "bm" vanderbilt oxygen potentials, those were created
> with a wavefunction cutoff of 25 to 35 rydberg in mind.


By the way, that O gave us odd results in water - we tested it
together with  a norm conserving, an O rrkj, and also compared with
Galli's results. All pseudos were giving the same numbers, a part
from the bm O:

http://www.pwscf.org/pseudo/upfdetails.php?upf=O.pbe-van_bm.UPF

				nicola


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Prof Nicola Marzari   Department of Materials Science and Engineering
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