[Pw_forum] How to calculate the properties of free OH

Lorenzo Paulatto paulatto at sissa.it
Mon Oct 22 15:29:54 CEST 2007

On Mon, October 22, 2007 14:51, oulihui666 wrote:
>    H   1.00000 Cu.pz-d-rrkjus.UPF

Are you sure that using a Copper pseudopotential for Hydrogen is a good
idea ;-).

And please, specify your name and affiliation!


Lorenzo Paulatto
+39 040 3787 312

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