Dear Saikat Please see the article by Juana Moreno and Jose M. Soler, 1992, PRB, Vol. 45, N. 24. for reference. DOI http://dx.doi.org/10.1103/PhysRevB.45.13891 They argue for the use of the cutoff length.
Kind regards Nick 2012/9/22 <[email protected]> > Dear siesta user > > I am using siesta for calculating phonon frequency in Carbon nanotube > (CNT). I want to know sitation for prescribing parameters of Kgrid_cutoff > AND kgrid_Monkhorst_Pack for calculation. And which of the two will take > less time for same accuracy. > > Please help > > Thanking You. > > > ____________________ > Saikat Paik > Mtech Student > Mechanical Engg. > IIT Kanpur,UP,India. >
