[SIESTA-L] Workshop in SIESTA, March 15, Imaginenano, Bilbao, Spain

Dear SIESTA community, We would like to announce an upcoming workshop related to SIESTA. The workshop “SIESTA: professional open source code ready for industry” will be held in the Imaginenano2018 Industrial Forum on March 15th in Bilbao, Spain. The workshop is aimed at teaching participants the

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

Re: [SIESTA-L] unable to generate .band file

a > On 10 Aug 2016, at 11:47, amrish sharma wrote: > > dear monica > > thanks for your kind reply i have do what u have said.. after that i got the > same result .band file donot generated > > On Wed, Aug 10, 2016 at 2:46 PM, Monica Garcia <mailto:supp...@simune.e

Re: [SIESTA-L] unable to generate .band file

Dear Amrish, Please delete the line “WriteBands .true.” in your .fdf input file. The .band file is generated when the default SIESTA parameter is used: “WriteBands .false.” Otherwise the information is only written in the output file. Best regards, Mónica Support Simune Atomistics Tolos

Re: [SIESTA-L] Units of position, mass, force, time, and velocity

Dear Francisco, Many physical units are recognised for each magnitude (Length: m, cm, nm, Ang, bohr). However, atomic units are the ones internally used by SIESTA. Electron mass, elementary charge and reduced Planck’s constant are all unity by definition. Regards, Mónica > On 08 Aug 2016,

Re: [SIESTA-L] Random Phase Approximation in SIESTA

Dear Reza, If you are interested in including van der Waals interactions in your calculations, I recommend you to give it a try to the recently released Siesta 4.0. This version includes the van der Waals functionals. Best regards, Mónica > On 25 Jan 2016, at 07:39, reza vatan wrote: > > De

Re: [SIESTA-L] Graphene based study using Siesta

Dear Rajan, Here you have some references in which SIESTA was used to simulate different Graphene properties, - Comparison of the electronic transport properties of metallic graphene and silicene nanoribbons; S. Yamacli, J. Nanopart. Res. (2014) 16. - The interaction of metallic clusters on