Regarding POMASS value in POTCAR file of Radon element
Posted: Wed Oct 27, 2021 6:51 am
Hai VASP users,
I am trying to do simulations with Radon element. The atomic weight of Radon is 222, the mass of the lonest-lived isotope (from Encyclopedia Britannica). But the POMASS value read from the PAW_PBE POTCAR is 22.017, instead of 222. I checked the POTCAR file for the atomic weight, as I visualized the simulated system in VESTA the size of the Radon atom was found to be small (I expected a big atom). Is the POMASS value (22.017) available in the POTCAR file of Radon is correct?
Can anyone give your comments to clarify my doubt.
Thanks in advance,
Seba
I am trying to do simulations with Radon element. The atomic weight of Radon is 222, the mass of the lonest-lived isotope (from Encyclopedia Britannica). But the POMASS value read from the PAW_PBE POTCAR is 22.017, instead of 222. I checked the POTCAR file for the atomic weight, as I visualized the simulated system in VESTA the size of the Radon atom was found to be small (I expected a big atom). Is the POMASS value (22.017) available in the POTCAR file of Radon is correct?
Can anyone give your comments to clarify my doubt.
Thanks in advance,
Seba