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Questions tagged [dynamical-mean-field-theory]

Questions about or related to DMFT.

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3 votes
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Result of FTIR and RAMAN calculations for SiPOCa structure

Using Quantum Espresso models this structure with the following input files. However, the ph.x IR column always shows zero. Does anyone know why this result? ph.x input: ...
Caroline Santos 's user avatar
1 vote
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Resource recommendation for learning matter modeling for a novice [closed]

I am a starting researcher in condensed matter physics. Hence, i have all the necessary background regarding quantum physics, and condensed matter physics. But what i want to do is to learn different ...
kal92's user avatar
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1 vote
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What methods are able to capture the properties of paramagnetic materials? [closed]

In DFT calculations one isn't able to set up a system which has no magnetic ordering but has local magnetic moments that are non-zero. This answer talks about how one can try to use a very large ...
AGS's user avatar
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16 votes
1 answer
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Are there any good books to learn how to use DFT+U?

I am interested in learning how to do DFT+U calculations and was wondering if anyone has any good recommendations for books or articles.
user139632's user avatar
16 votes
3 answers
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What are some codes available for Dynamical Mean Field Theory (DMFT)?

One particularly field of matter modeling is that of strongly correlated materials, heavy-fermion compounds with partially filled 4f or 5f orbitals. In brief, these are materials whose complex ...
epalos's user avatar
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