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Ab initio Calculations Using Wien2k Code

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[Wien] AFM type II Wien mailing list

[Wien] AFM type II

Abderrahmane REGGAD 12:47:00

djamel slamnia Sat, 25 Jan 2020 03:42:25 -0800 dear wien2k user's  I got big problem to creat a structure for AFM type II  or type III…

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How to determine the magnetic nature of materials ? Antiferromagnetic calculations

How to determine the magnetic nature of materials ?

Abderrahmane REGGAD 00:26:00

[Wien] How to determine magnetic configuration Pylak Maciej Fri, 6 Aug 2010 09:42:00 +0200 Dear Prof. Blaha and Wien2k Users My aim is to …

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[Wien] AFM calculations with Spin Orbit Coupling Antiferromagnetic calculations

[Wien] AFM calculations with Spin Orbit Coupling

Abderrahmane REGGAD 00:21:00

[Wien] AFM calculations Lawal Mohammed Fri, 20 Apr 2018 04:25:12 -0700 Dear respected Developers and Users, I am trying to understand how…

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[Wien] Help me to solve #194 SG perovskites structure in AFM phase calculation problem Antiferromagnetic calculations

[Wien] Help me to solve #194 SG perovskites structure in AFM phase calculation problem

Abderrahmane REGGAD 00:13:00

Enamul Haque Mon, 20 Aug 2018 05:55:42 -0700 Dear Wien2k Users and Experts, We already got sufficient help from Dr. Gavin in this case but …

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[Wien] Anti-ferromagnetism in FeO Wien mailing list

[Wien] Anti-ferromagnetism in FeO

Abderrahmane REGGAD 20:56:00

shamik chakrabarti Tue, 23 Jun 2020 07:28:23 -0700 Dear Wien2k users, I want to simulate antiferromagnetism in FeO.…

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[Wien] Query regarding structure optimization Problems and Solutions

[Wien] Query regarding structure optimization

Abderrahmane REGGAD 20:51:00

shamik chakrabarti Sun, 21 Jun 2020 00:02:48 -0700 Dear Wien2k users, I have two queries; (1) Should we have to do force minimization *s…

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[Wien] Why the antiferromagnetic structure of Cr is still cubic Wien mailing list

[Wien] Why the antiferromagnetic structure of Cr is still cubic

Abderrahmane Al jazairi 15:49:00

Abderrahmane Reggad   Thu, 09 Jun 2016 05:20:12 -0700 Dear wien2k users I have read that the antiferromagnetic ordering is accompanied with a …

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How to do a magnetic calculation? Tutorials

How to do a magnetic calculation?

Abderrahmane Al jazairi 12:01:00

First of all, we need to do a predictive study to determine if our compound is magnetic or no. a magnetic compound is formed of magnetic atoms l…

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How to begin to do antiferromagnetic calculation Tutorials

How to begin to do antiferromagnetic calculation

Abderrahmane Al jazairi 00:10:00

There are two methods to do antiferromagnetic (AFM) calculation which are: * Spin-polarized method: It's similar to the ferromagnetic calcula…

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What are the atomic positions of the antiferromagnetic structure of the NiS comopund Wien mailing list

What are the atomic positions of the antiferromagnetic structure of the NiS comopund

Abderrahmane Al jazairi 10:30:00

[Wien] What are the atomic positions of the antiferromagnetic structure of the NiS compund ABDERRAHMANE REGGAD   Sun, 06 Mar 2016 12:38:57 -0…

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[Wien] What's the crystal structure of NaCl in antiferromagnetic calculation Wien mailing list

[Wien] What's the crystal structure of NaCl in antiferromagnetic calculation

Abderrahmane Al jazairi 19:52:00

Abed Reg Sat, 29 Nov 2014 13:08:47 -0800 Dear Wien2k users To do the antiferromagnetic calculation for the bcc Cr, we use the P cubic struc…

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The better method to do antiferromagnetic calculation is : spin-polarized wthout afm option. Wien mailing list

The better method to do antiferromagnetic calculation is : spin-polarized wthout afm option.

Abderrahmane Al jazairi 22:48:00

From the wien mailing list : [Wien] Please help for AFM calculation Madhav Ghimire Sat, 5 May 2012 18:44:25 +0900 Dear all, I …

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Question in wien mail list about antiferromagnetic calculation Wien mailing list

Question in wien mail list about antiferromagnetic calculation

Abderrahmane Al jazairi 22:24:00

Murugan Sundareswari Thu, 30 Apr 2015 06:43:58 -0700 Dear wien 2k users    I am working on the compound DyPdBi. this compound is anti ferro…

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My question to wien mail list about antiferromagnetic calculation of NiO Wien mailing list

My question to wien mail list about antiferromagnetic calculation of NiO

Abderrahmane Al jazairi 21:11:00

Abed Reg Thu, 27 Nov 2014 14:25:21 -0800  Wein users, I'm trying to do a antiferromagnetic calculation for the compound NiO. I have f…

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How to do an antiferromagnetic calculation with the option afm (ex: Cr) Antiferromagnetic calculations

How to do an antiferromagnetic calculation with the option afm (ex: Cr)

Abderrahmane Al jazairi 17:14:00

* Use the struct file from the repertory: $WIENROOT/SRC_afminput/afminput_test/cr_af *The following steps seem to work: username@computername:~…

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WIEN2k-FAQ: Setup of antiferromagnetic calculations? Antiferromagnetic calculations

WIEN2k-FAQ: Setup of antiferromagnetic calculations?

Abderrahmane Al jazairi 17:40:00

Setup of antiferromagnetic calculations requires some tricks which will be described below: You need to construct a unit cell which allows for th…

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Antiferromagnetic calculation of NiO (spin-polarized) Antiferromagnetic calculations

Antiferromagnetic calculation of NiO (spin-polarized)

Abderrahmane Al jazairi 17:02:00

The nickel oxide has the NaCl structure with the atomic posotions: Ni (0,0,0) et O (0.5,0,0) and the space group (Fm3m=255) The results of no…

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