[Wien] Problems of HCP Tb

[Ghosh SUDDHASATTWA]

Hi Wang, 

I have rather a small question on the files that you have shown. 

0.30 as a global energy parameter seems to be too low for f-systems. 

I am really surprised that your SCF cycle has not shown any "QTL type"
error. 

Can you please also tell me that why in the case.in1 file you have changed
the emax from the default 2.0 to 5.0? 

 

Suddhasattwa 

 

 

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