Marcelo Barbosa Fri, 08 Apr 2016 03:43:15 -0700 Dear Sirs, I did some calculations with GaN (struct file in attachment) to compare the diff…
Read moreViktor Zano Tue, 21 Feb 2012 20:44:39 GMT Dear Wien2k users Are Spin polarization (SP) calculations recommended to Pauli Paramagnet intermeta…
Read moreSalman Zarrini Mon, 20 Oct 2014 06:18:22 -0700 +++++++++++++++++++++++++++++++++++++++++++ Dear Wien2k users, I get always confused while br…
Read moreYevgen Melikhov Thu, 05 Feb 2015 06:11:57 -0800 Dear Prof. Blaha, Dear users of WIEN2k, I have several questions on how best to perform optim…
Read more[Wien] Different convergences in Non-SP and SP methods Abderrahmane Reggad Thu, 29 Dec 2016 03:10:57 -0800 Dear wien users I have done the …
Read moreAbderrahmane Reggad Wed, 15 Jun 2016 11:51:24 -0700 Dear wien2k users we know that the spin reorientation in the magnetic structure has an ef…
Read moreAbderrahmane Reggad Wed, 09 Nov 2016 03:32:08 -0800 Dear Wien2k Users I want to do volume optimization for 5 structures (nm (hex);afmI(hex),a…
Read moreKomal Bapna Fri, 06 May 2016 02:50:08 -0700 Dear Wien users I am working on Sr2CoO4. Here I wanted to study the system with different spin st…
Read morePablo de la Mora Thu, 02 Jun 2011 07:13:28 -0500 Dear WIEN users, Compounds with 5d metals have magnetic properties, but due to the exte…
Read morebothina hamad Thu, 26 Jun 2008 09:48:26 -0700 (PDT) Daer Wien users, I'm trying to calculate the possible low-spin and hig…
Read moreEnamul 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 we…
Read moreAbderrahmane Reggad Sun, 27 Nov 2016 14:13:16 -0800 Dear wien users The orbital potential in DFT+U and EECE for localized orbitals will be …
Read moreAbderrahmane Reggad Sat, 26 Aug 2017 04:21:02 -0700 Dear wien2k users We know that the ion Fe+2 has a high spin configuration (3d6 (teg(4) eg…
Read moreRe: [Wien] Paramagnetic Calculation ! tran Sat, 20 Apr 2019 10:49:21 -0700 Hi, A paramagnetic phase consists of randomly oriented magnetic …
Read more[Wien] Spin polarization calculation of Pauli Paramagnet Peter Blaha Wed, 22 Feb 2012 07:36:54 +0100 A magnetic material above the Curie/Nee…
Read morekarima Physique Fri, 05 May 2017 16:50:58 -0700 Dear Wien2k users: How I can know if the material is paramagnetic or diamagnetic with a calcu…
Read moreDr. Komal Bapna Sat, 27 Feb 2016 03:17:24 -0800 Dear Wien users I want to get the non-magnetic ground state of a system. I am not able to fin…
Read moreAbderrahmane Reggad Sat, 05 Nov 2016 08:00:56 -0700 Dear Wien2k Users I want to know if there is a difference between the case.inst files for…
Read moreAbderrahmane Reggad Sat, 26 Nov 2016 09:52:03 -0800 Dear Wien2k and Prof Blaha According to Prof Blaha ( https://www.mail-archive.com/wien@ze…
Read moreAbderrahmane Reggad Thu, 09 Jun 2016 05:20:12 -0700 Dear wien2k users I have read that the antiferromagnetic ordering is accompanied with a …
Read moreHello, my name is Dr Abderrahmane Reggad. I'm a 53 year old and I am a researcher in materials' sciences.
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