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 calculations.
Thnx
Mic.
"M.Sairam Swaroop" <[EMAIL PROTECTED]> wrote: 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 Sciences Unit
JNCASR,Jakkur
Bangalore-64
INDIA
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