pseudopotential for LiH or HCl

[abdo90]

hello everybody,
I'm new in abinit, and I have a problem for which kind of pseudopotential can I use in this case for liH and HCl... can somebody help me please thanks and best regard

[jzwanzig]

Do you mean molecular LiH and HCl or solid? in the molecular case the ones on the web site should be fine. In the solid case you might run into serious problems describing the hydrogen bonding but that's a problem with the current exchange and correlation functionals more than anything else. If your real interest is molecular systems, a planewave code is not a very efficient choice--