On Mar 23, 2011, at 7:47 , mike at. wrote:
> thanks for the help, how can one access the original file?
ask the original author, if known...
P.
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Hi,
thanks for the help, how can one access the original file?
Regards.
On Tue, Mar 22, 2011 at 11:22 PM, Paolo Giannozzi wrote:
>
> On Mar 22, 2011, at 19:11 , mike at. wrote:
>
> > for something like B.pz-vbc.UPF, how can i find out from which
> > values the pseudo matches the *real*
On Mar 22, 2011, at 19:11 , mike at. wrote:
> for something like B.pz-vbc.UPF, how can i find out from which
> values the pseudo matches the *real* wavefunction?
if should be written somewhere in the file, but for PPs converted
from another format it is not always present. For a rough
hi,
how can i tell the core radius ( cuttoff radius) , r_c , at which a pseudo
potential is valid? ir for something like B.pz-vbc.UPF, how can i find out
from which values the pseudo matches the *real* wavefunction?
Regards
M. O. ATAMBO.
Undergrad , Moi University
Chepkoilel University college
v at yahoo.com
From: mike at. <mikeat4...@gmail.com>
To: Pw_forum at pwscf.org
Sent: Tue, March 22, 2011 7:11:02 PM
Subject: [Pw_forum] core radius of pseudopotential for which matches real wave
function
hi,
how can i tell the core radius ( cuttoff radius) , r_c , at which
