[Pw_forum] Removed pseudopotentials

[Miguel Martínez Canales]

Dear pwscf users and developers,

I've been browsing the pseudopotential database as of late, and I've 
noticed that Li.pbe-s-van_ak.UPF has been removed due to wrong phonon 
results. There are other very similar pseudopotentials, whose main 
difference, apart from F_xc,  seems to be a slightly different occupation 
(2s0.80 2p0.20 agains 2s0.95 2p0.05). I suspect that, being so similar, 
these pseudopotentials might share the same problem. Have these been tested 
in the same environment than the PBE pseudopotential? If the answer is 
negative, I will test them as long as someone tells me in which condition 
the PBE pseudo failed.

On a similar note, I suspect that Ge.pw91-n-van.UPF may also give wrong 
phonon results (negative frequencies of the fcc phase at ambient pressure), 
but I will send a script in a couple of minutes. I'll of course share my 
results.

Miguel

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Miguel Martínez Canales
Dto. Física de la Materia Condensada
UPV/EHU
Facultad de Ciencia y Tecnología
Apdo. 644
48080 Bilbao (Spain)
Fax:  +34 94 601 3500
Tlf:  +34 94 601 5437
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