Re: [SIESTA-L] S and H matrices

2006-09-06 Thread Magnus Paulsson
: [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

Re: [SIESTA-L] S and H matrices

2006-09-06 Thread Michael Shin
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

[SIESTA-L] S and H matrices

2006-09-05 Thread M.Sairam Swaroop
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