Re: [QE-users] Is there "recommended" values of cutoffs for ONCV pseudopotentials?

2020-09-24 Thread mkondrin
Hi, Michal, Thank you for pointing out this wonderful site. However I have another question. Is this "magical" PAW pseudopotential (JTH v1.0) with energy cutoffs 15 Ha=30 Ry for Zn and Se is available for QE? Sincerely yours, M.V. Kondrin On 24.09.2020 14:55, Michal Krompiec wrote: See

Re: [QE-users] Is there "recommended" values of cutoffs for ONCV pseudopotentials?

2020-09-24 Thread Michal Krompiec
See http://www.pseudo-dojo.org/ Best, Michal Krompiec Merck KGaA On Thu, 24 Sep 2020 at 11:53, mkondrin wrote: > Dear QE developers and users, > > I wonder is there recommended values of energy and charge density > cutoffs for norm-conserving pseudopotentials like ONCV ones? For PAW >

[QE-users] Is there "recommended" values of cutoffs for ONCV pseudopotentials?

2020-09-24 Thread mkondrin
Dear QE developers and users, I wonder is there recommended values of energy and charge density cutoffs for norm-conserving pseudopotentials like ONCV ones? For PAW pseudopotentials which are available at the official QE site these values are written in the corresponding files but for ONCV