[SIESTA-L] Understanding MM.Potentials Block

2010-08-04 Por tôpico Juzar Thingna
Hello Everyone, I am a bit confused about the parameters that need to be set in the MM.Potentials Block for the C6,C8 and C10 potentials. The siesta manual gives example of C6 as the following: 1 1 C6 32.0 2.0 In this block what does 32.0 and 2.0 stand for? According to my knowledge C6 potential

[SIESTA-L] bug(?) with External Electric Field in siesta3

2010-08-04 Por tôpico Alexander Vozny
Dear SIESTA users, has anyone experienced problems with External Electric Field in siesta3? It looks like the field is applied only in a part of the unit cell (see attached images). The system is a Si slab (1x1x5 lattice constants) with %block ExternalElectricField 0. 0. 0.1 V/Ang %e

Re: [SIESTA-L] Parallel Installation of Siesta (successful)

2010-08-04 Por tôpico Hosein Cheraghchi
Dear Siesta users and developers: I also successfully can compile parallel siesta-3.0-rc2. I removed my problem by running makefile once in the following folder to produce V_s.uses files : /Src/MPI/ best hossein --- On Sat, 7/31/10, Hosein Cheraghchi wrote: From: Hosein Cheraghchi Subject: Re: