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General Questions and Answers / About "The element XX is not supported for LCAOCalculator"
« on: November 15, 2011, 19:42 »
Hello,
We want to use our ATK-DFT 11.8 simulator to investigate electronic properties of bulk rare-oxides. When I want to use i.e. praseodymium, I got an error in Script Generator/New Calculator:
The element praseodymium is not supported for LCAOCalculator
As I saw, there are related pseudopotentials in atk's directory. Is there a way to do these elements in our calculations?
Regards,
We want to use our ATK-DFT 11.8 simulator to investigate electronic properties of bulk rare-oxides. When I want to use i.e. praseodymium, I got an error in Script Generator/New Calculator:
The element praseodymium is not supported for LCAOCalculator
As I saw, there are related pseudopotentials in atk's directory. Is there a way to do these elements in our calculations?
Regards,