[CPMD-list] Format and converter
BOUYER Frédéric 153746
FB153746 at atil.cea.fr
Mon Sep 6 09:18:44 CEST 2004
Dear all,
One more question about PP formats and converters : is it true that CPMD
reads the NLCC format if it is directly written in the CPMD format, and can
not read NLCC if it is in the UPF format ? (even if the NLCC keyword is
specified in the input file)
If so, and if we want to use NLCC, we have to produce PP in CPMD format, for
instance with the use of the last converter given by Alex, and not the
converter fhi2upf given with PWSCF...
Frédéric
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