On 14/03/2008, at 19:22, Andrei Postnikov wrote:
On 13/03/2008, at 20:36, Andrei Postnikov wrote:
| > 1. Does somebody know whether there s a way to see from the .psf
file if the
| > core correction is included, and with which radius?
|
On Fri, 14 Mar 2008, Eduardo Anglada wrote:
| Just now there is no way, but I have all the info, of course you
can ask for
| it.
Eduardo:
would it be too much to ask you to (gradually) add this information
to the comment line in each pseudopot ? :-)
Andrei,
That is what I'm going to do.
Regards
Eduardo
Best regards
Andrei
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| Paul Verlaine University - Institute de Chimie, Physique et Mat
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