[CPMD-list] NLCC section
Andrea Fortini
andrea.fortini at mi.infn.it
Tue Dec 10 00:54:55 CET 2002
Dear all,
I use a pseudopotential for sodium with analitic NLCC
of this type
&NLCC
ANAL
0.020688 0.015611 0.685277
&END
It works well with CPMD v3.5.2, but if I use CPMD v 3.5.3 I get this error
UNKNOWN TYPE OF NLCC
I would like to use this pseudo also with latest cpmd version: there some new
option I have to add to input file or pseudo file, or I have to produce a new
pseudo with numerical core correction?
Thank you very much.
Regards
Andrea Fortini
--
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Andrea Fortini
Universita' degli Studi di Milano
Dipartimento di Fisica
Via Celoria, 16
20135 Milano
Italy
Tel: (+39) 02 5031 7654
Fax: (+39) 02 5031 7487
Home page: www.mi.infn.it/~fortini
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