Dear all,
I am very new to LDA+U calculation. I set up my calculation by following
the UG manual . I ran the single point calculation successfully . But I do
not know how to check whether the U-J value applied correctly or not .
Where can I find the information about the respective atomic sites where I
have applied U values as output  ?. I had applied the U values in 9th 10th
11th and 12th site. Here I have attached my case.inorb and case.indm file.
Basically I want to know whether I applied the U values correctly or not .
Also I want to know where I can find the information about U after
calculation. I appreciate your help in advance.


Kind Regards
Paresh Chandra Rout
Research Scholar
Indian Institute of Science Education and Research , Bhopal

Attachment: BiFeReO6.indm
Description: Binary data

Attachment: BiFeReO6.inorb
Description: Binary data

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