Units of LDAUU

Queries about input and output files, running specific calculations, etc.


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kpkuhl
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Units of LDAUU

#1 Post by kpkuhl » Mon Feb 08, 2010 10:43 pm

Hi,

I wondered what the units on U and J are when using LDA+U? It didn't seem to be specified in the manual. Thanks,

Kendra
Last edited by kpkuhl on Mon Feb 08, 2010 10:43 pm, edited 1 time in total.
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boris
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Units of LDAUU

#2 Post by boris » Tue Feb 09, 2010 6:53 am

It's in eV :)

Regards
Last edited by boris on Tue Feb 09, 2010 6:53 am, edited 1 time in total.
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zoowe
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Units of LDAUU

#3 Post by zoowe » Tue Feb 09, 2010 6:07 pm

It should be written clearly in OUTCAR
Last edited by zoowe on Tue Feb 09, 2010 6:07 pm, edited 1 time in total.
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boris
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Units of LDAUU

#4 Post by boris » Wed Feb 10, 2010 9:26 am

[quote="zoowe"]It should be written clearly in OUTCAR[/quote]
Not necessarily, the default unit is in eV.
Last edited by boris on Wed Feb 10, 2010 9:26 am, edited 1 time in total.
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