Ab initio Calculations Using Wien2k Code

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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…

DFT-U Calculations

We take the SrVO3 as an example and we applly the both methods for 3d electrons of Vanadium. You need the following files: SrVO3.struc…

DFT-U Calculations

Elias Assmann Vienna University of Technology, Institute for Solid State Physics WIEN2013@PSU, Aug 14 To down…