Re: [Wien] How to simulate the spin reorientation in the magnetic study

2016-06-15 Thread Víctor Luaña Cabal
On Wed, Jun 15, 2016 at 07:50:55PM +0100, Abderrahmane Reggad wrote: > > we know that the spin reorientation in the magnetic structure has an effect > on the physicak properties of materials. > > How to simulate that using the wien2k code That's not a particular issue on wien2k. That's a

Re: [Wien] DFTD3 stop error

2016-06-15 Thread Tristan de Boer
Ah, thanks! That fixed the issue. On 2016-06-14 4:12 PM, t...@theochem.tuwien.ac.at wrote: This is the problem: the name of the directory (and poscar file) is BN-h which contains "-", and dftd3 thinks that there is an option after this "-". At the moment the solution is to rename your directory

[Wien] How to simulate the spin reorientation in the magnetic study

2016-06-15 Thread Abderrahmane Reggad
Dear wien2k users we know that the spin reorientation in the magnetic structure has an effect on the physicak properties of materials. How to simulate that using the wien2k code Best regards -- Mr: A.Reggad Laboratoire de Génie Physique Université Ibn Khaldoun - Tiaret Algerie

[Wien] Fwd: Ausschreibungstext PHD

2016-06-15 Thread Peter Blaha
Dear WIEN2k users, Please find below an advertisement for a PhD position with the newly appointed Professor Georg Madsen in "Theoretical solid state chemistry" at the TU Vienna. Please direct questions to georg.mad...@ruhr-uni-bochum.de, but apply directly at the address given below.