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[Wien] Does it need to use -orb option in charactization for LSDA+EECE calculations?
Hamid Abbaszadeh Peivasti Wed, 2 Jan 2008 21:30:36 +0330 Dear WIEN2k users; I uesd LDA by EECE for calculating a case. Does it need to use -or…
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[Wien] How to decrease interstitial charges?
Ahmad Ranjbar Mon, 26 Jul 2010 01:39:01 +0900 Dear WIEN2K users, I am doing some electronic structure calculations on graphene sheet using …
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Wien mailing list
[Wien] orbital-projected charge
Yundi Quan Wed, 19 Oct 2011 20:22:02 -0700 Hi, Is it possible to plot orbital-projected charge? For example, the 3s, 3p and 3d of atom 1 form…
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Wien2k
Wien2k
The all-electron GW method based on WIEN2k: Implementation and applications.
The all-electron GW method based on WIEN2k: Implementation and applications. from ABDERRAHMANE REGGAD
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Wien2k
Density functional theory (DFT) and the concepts of the augmented-plane-wave plus local orbital (L)APW+lo method
Density functional theory (DFT) and the concepts of the augmented-plane-wave plus local orbital (L)APW+lo method from ABDERRAHMANE REGGAD
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Wien2k
Localized Electrons with Wien2k (LDA+U, EECE, MLWF, DMFT)
Localized Electrons with Wien2k from ABDERRAHMANE REGGAD
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Wien2k
Methods available in WIEN2k for the treatment of exchange and correlation effects
Methods available in WIEN2k for the treatment of exchange and correlation effects from ABDERRAHMANE REGGAD
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Phonon Calculations
Electronic structure, atomic forces and structural relaxations by WIEN2k
Blaha krakow 2004 de ABDERRAHMANE REGGAD
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Wien mailing list
gap with hybrid functional (wien mailing list)
abdel Mar.. Wed, 18 Sep 2013 08:52:06 -0700 dear Wien2k community, i'm interested on the calculation of gap for 4f materials with hybrid…
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Wien2k
How to get a detailed information about charge density: the case of cubic Holmium
This video is made by our colleague Ayoub Samie
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Wien2k
Simulation of Bulk and Surface Structures of TiN
Bulk Structure Surface Structure Reference: http://ewins2016.ijs.si/slides/tutorial-WIEN2k.pdf
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Tutorials
Summarization about phonon calculations
A- Introduction: Light is an electromagnetic wave and Sound is an elastic wave. According to the wave-particle duality principle, light is com…
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Video
Calculating the Phonon properties using PHONOPY software
PHONOPY by Atsushi Togo. This package also provides the possibility to calculate phonons using WIEN2k (see the most recent phonopy usersgui…
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Tutorials
A program to calculate phonons using the small displacement method (PHON software)
Dario Alfè Department of Earth Sciences and Department of Physics and Astronomy, Thomas Young Centre@UCL and London Centre for Nanotechnology Un…
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Tutorials
Guide about the Phonon calculations (using PHONON software)
To calculate the phonon properties, there are 3 main softwares interfaced to wien2k code: PHONON by K.Parlinski , PHONOPY by A.togo and PHON …
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Hello, my name is Dr Abderrahmane Reggad. I'm a 53 year old and I am a researcher in materials' sciences.
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