[Pw_forum] US not implemented error of D3Q

Min Hong m.hong1 at uq.edu.au
Sun May 21 01:10:42 CEST 2017


Dear QE users,


I am doing d3q calculations. I am not using ultrasoft pseudopotentials. But, there is always an error:


from d3_readin : error #  1

US not implemented


Could you help to fix this error?


I have tried with pseudopotentials of pbe and pz to run phonon calculation, which are not ultrasoft. But I still get this error.


In my calculation, when I use nonconversing pseudopotentials, there is error of "S matrix not positive definite". So, maybe nonconversing pseudopotentials cannot be used in this calculation.


Thank you very much.


Kind regards,


Min Hong


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