Dear Mostafa
Thanks for your reply. My structure is an 5-armchair graphene nanoribbon along
the z direction.
i want to know that the optical mesh (1 1 64) that i used is correct or not. i
obtained different conductivities for optical mesh (1 1 64) and optical mesh
(64 1 1) , i m not sure which
Dear Mostafa
Thanks for your reply. My structure is an 5-armchair graphene nanoribbon along
the z direction.
i want to know that the optical mesh (1 1 64) that i used is correct or not. i
obtained different conductivities for optical mesh (1 1 64) and optical mesh
(64 1 1) , i m not sure which
Dear somayeh.
I think Armchair Graphen Nano Ribone has 2D structure .you have to pay
attention for griding (kgrid_Monkhorst)
your griding is for 1 0 00.5 1D structure along Z Direction . Be
sure your structure is 1D or 2 D structure .And
0 1 00.5
Dear siesta users
I m trying to calculate the optical properties of an armchair GNR.
can any one check my .fdf file and tell me if i defined my parameters
correctly.specially my optical mesh.
I really appreciate any help.
Best regards
Somayeh Rudi
here is my .fdf file:
# AGNR N_a = 5
#
System
Just to clarify.
The compilation of a program does not per se distinguish where the routines
linked are contained. As long as the linking step finds the required
routines it will compile. Thus you could easily create one library which
contained BLAS, LAPACK, ScaLAPACK and BLACS and just link to th
In the TBTrans_rep version this is not implemented (yet), in this case use
the TBTrans version.
The easiest thing is to decrease the number of energy-points in the
simulation and thus requiring several simulations to get the full energy
range you need.
2013/7/22
> Hello everyone,
>
> Is there
Dear siesta users,
I calculate the electronic properties of my supercell by spin polorized
calculation.so I set SpinPolarize to true.
I dont know how to obtaian the systemlable.band.up and systemlable.band.down.
how to modify the gnubands.f to plot the bandstructure for both spins?
I look
