[Wien] SuperCell Configuration_RHFS Error during lstart

[Ghosh SUDDHASATTWA]

Dear Wien2k users, 

I created a 2x2x2 supercell from a Pnma struct file with 6 inequivalent
atoms. The total number of atoms was 32 with U1, K, Cl1, Cl2, Cl3 and Cl4. 

A 48 atom supercell was created. 

After running through sgroup which converted the cell to monoclinic system,
during lstart the following error came

Invalid atomic configuration 

 

Specified Element U1, U1 U2RHFS 

 

Can anybody suggest what it means. 

I checked the RMT, Z and there wasn't any error during 

x nn

 

Thanks 

Suddhasattwa 

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