U parameter
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rrpalanichamy
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U parameter
I am doing electronic structure calculation for IrMnSn. To include onsite Coulomb interaction, we have tot take Ueff for the 3d-electrons of Mn and another Ueff for the 4f-electrons of Ir atoms. please inform me how to include two U- parameters in INCAR file. What is the tag we have to use in INCAR file?
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tfrankcombe
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Re: U parameter
It's in the manual:
http://cms.mpi.univie.ac.at/vasp/vasp/O ... _DA_U.html
http://cms.mpi.univie.ac.at/vasp/vasp/O ... _DA_U.html