[Pw_forum] Regarding adsorption of metal atoms in graphene

[Kondaiah Samudrala]

Dear all,

I am very new to doing calculations for adsorption of metal atoms with 2D
materials(For e.g. graphene with metal atoms).

If someone have any tutorials or specific path to prepare the ATOMIC
POSITIONS and IBRAV for the these type calculations in PWSCF,  please
suggest me.

Thanks in advance

with best regards
S. Appalakondaiah
Researcher
HINT, SKKU
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