[Wien] lda+u text by Madson & Novak

[Chandrika]

Dear Prof Blaha & Wien users,
I am trying to learn LDA+U using the text by Madson & Novak (2005) (Calculating effective U in APW methods). I am trying to reproduce the NiO example step-by-step but it does not work. The text probably needs to be changed in some parts.
I list the following:
(i) Point No 3 , page 1 :Suggested RMT (2.3 & 1.65 for Ni & O) are not accepted by Wien.
(ii) Point No 5 : Copying NiO_struct_sgroup to NiO.struct does not give the file shown. This will be obtained only if the NiO_super.sgroup is copied.
(iii) Page 3, End of section III : lstart will run but dstart, dstart -up, -dn do not run unless the cp lines are executed. So there should be a change in order of the statements.
(iv) Subsequent command of runsp gives mixer error and lcore is not executed.
Could someone else please repeat this example and help me to understand how to do it.
thanks
Chandrika

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