: [SIESTA-L] S and H matrices
Dear Siesta Users,
I want to know how to get the overlap and the Hamiltonian matrices from
the filename.HS file. I am not quite aware of the format in which it is
written, if someone could share their program with me i would be very
grateful.
thanks
swaroop
Hello M.Sairam Swaroop
Would you like to tell me why do we need these matrices bcos I never used it.
As for as the physical meaning of overlap and Hamaltonian, I know it but I
dont know that when, and why we need these matrices and what can we do with it
if we get (read) it from SIESTA
Dear Siesta Users,
I want to know how to get the overlap and the Hamiltonian matrices from
the filename.HS file. I am not quite aware of the format in which it is
written, if someone could share their program with me i would be very
grateful.
thanks
swaroop
--
M.Sairam Swaroop
Theoretical
3 matches
Mail list logo