[Octopus-users] pseudopotential
moshiour
moshiour at bose.res.in
Tue Jun 20 06:45:10 WEST 2006
Dear user,
To run octopus except by default pseudopotential like Cl, I used the species
block:
%species
'Cl' | 35.453 | spec_ps_tm2 | 17 | 1 | 0
%
And I put the Cl.ascii file in my working directory, but it is not working
what should i write in species block ?
regards
Moshiour
Bose-TWAS Fellow
S.N.Bose Center,India
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