[SIESTA-L] Optical parameter (polycrystal)

Dear users, I do some optical calculations using SIESTA. I have a small problem in optical parameter about "polycrystal" in SIESTA. I check it on goolge and find "polycrystal" means averaged polarization in all the directions. And I can not find the code in SIESTA for computing the "polycrysta

Re: [SIESTA-L] Query regarding Hubbard U parameter in siesta

Dear Sukanya: In the latest versions of SIESTA, the LDA+U method is available. Try with them. Best regards, Javier > Dear siesta users, > > > I would like to know whether we can do calculation with Hubbard U parameter > in any of the siesta versions. > > > Thanking you. >

Re: [SIESTA-L] Query regarding Hubbard U parameter in siesta

Dear Sukanya LDA+U is one of the new features introduced in siesta-4.1(b2). Regards, Mónica Dr. Mónica García-Mota Simulations Manager Av. de Tolosa 76 | 20018 Donostia - San Sebastián | Spain T.: +34 943 57 40 68 | m.gar...@simune.eu | www.simune.eu