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Dear all,
I'm running MD for water molcules using Vasp. I can find many POTCAR files regarding H atom, H , H_h , H.5 , H1.25and H1.5 for PAW pseudopotentials. What's the difference between them??

Thanks!!

If you do say Ge surfaces, you will not need H.5, H1.25, H1.5 but if you do calculations on say GaAs, InP surfaces, then you need them.

H and H_h refer to the cutoff of the potentials, H0.5,... 1.25,.... denote PPs with different numbers of electrons, i.e., for H, pseudopotentials for partly charged H are available. Please grep for ZVAL in the respective POTCAR files to verify that.