[Pw_forum] pseudopotentials for C, H, O and Cl (Giuseppe Mattioli)
José Alberto Pires Fernandes
jafernandes at ua.pt
Mon Feb 6 23:56:01 CET 2012
Hello Giuseppe
Please considere that in
http://www.quantum-espresso.org/pseudo.php
the only pseudopotentials available for Cl are
Cl.blyp-mt.UPF
Cl.pw91-mt.UPF
Cl.pz-bhs.UPF
Cl.pbe-n-van.UPF
From these pseudopotentials I could find similar for C
and O:
C.blyp.mt.UPF
and
O.blyp.mt.UPF
but no one in common for hydrogen.
José Fernandes
Departamento de Quimica
Universidade de Aveiro
3810-193 Aveiro
Portugal
Tel: +351234370720
Fax: +351234370084
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