Regarding use of uspp for epw calculations

[vinpandey]

Dear all,
I am doing EPW calculations for my system Fe2VGa where I am using ultrasoft PP (uspp). I wanted to ask if we can use the USPP generated by different methods together for example, rrkjus and sp-van as I am using sp-van type uspp for Fe and V and rrkjus type uspp for Ga.


Best regards

Vineet Pandey
PhD student
IISER Pune

[hlee]

Dear Vineet Pandey:

I would like to suggest you NOT to use ultrasoft pseudopotentials with EPW since there is an issue with breaking the symmetry relation which should generally hold.
Until it is fixed, you have to use norm-conserving pseudopotentials with EPW.

Sincerely,

H. Lee

[vinpandey]

Dear hlee,
Thanks for your reply