[SIESTA-L] single excitation theory

Hello, I am seeking to know about the theory of the single excitation in Siesta. I have not yet used it in my input, but I'd be grateful to know its theory and the consequence of switching it on in my input. Julie

[SIESTA-L] .sot extention

Hi everyone, Until now I had used xcrysden as a tool of visualization. But Now, I want to shift to gdis. I would like to know how I can have the file extension of sot. Regards, Julie.. siest...@listserv.uam

[SIESTA-L] pseudo generating

Hello all siesta users, I am completely new to pseudo generating, because I always scaped this part. Now I want to work with the following site of octopus: http://www.tddft.org/programs/octopus/pseudo.php Is there a short manual to let me know what different parts of it for and how we should

Re: [SIESTA-L] pseudo plot

... Julie Smart Dear Everyone, I'm sorry in advance cause it may seem weird and hactic, but could you let me know details about plotting of a generated pseudo? I can plot the pseudos I generated with opium.But, I can not manage them for the pseudos in Siesta with. Please let me have your guide

[SIESTA-L] pseudo plot

Dear Everyone, I'm sorry in advance cause it may seem weird and hactic, but could you let me know details about plotting of a generated pseudo? I can plot the pseudos I generated with opium.But, I can not manage them for the pseudos in Siesta with. Please let me have your guide. regards,

[SIESTA-L] Posible SPAM: real part of dielectric function

? Would be grateful to have quick response. Regards, Julie Smart Caltech University www.caltech.edu

[SIESTA-L] Optical theory

Hello all, Is it possible to introduce a more detailed refrence for the optical calculations in Siesta? Pls do not address me to known solid states books. I want to know what approaches siesta uses. Regards, Julie Smart Caltech University www.caltech.edu

Re: [SIESTA-L] correct optical calculation

you we will have optical scissor = experimental bandgap - calculated bandgap ? Wait for your kind advice. Best wishes Julie Smart Caltech University www.caltech.edu From: Marty Blaber [EMAIL PROTECTED] To: SIESTA-L@listserv.uam.es Sent: Monday, December