dear younas
You can compute all mentioned properties using siesta. The manual of siesta is
well written for all properties and sufficient test files are also given.
all the best.
Dr Mohan L Verma
Prof & Head
Department of Applied Physics
FET,SSGI Shri Shankaracharya Technical Campus-Junwani, Bhilai (Chhattisgrah)
INDIA
490020
On Tuesday, 31 March 2015 7:53 PM, Younas Khan
<[email protected]> wrote:
Hi all. I am new to SIESTA. I just wanted to know that can we calculate
optical, structural, electronic and mechanical properties of a material using
SIESTA? If yes, then what blocks should be included in the input file.
Thanks in advance.
Younas Khan
