Dear users:
i am using the optical module of the siesta to calculate the material's
optical properties,such as dielectric constant ,conductivity and so on.For a
suspended monolayer graphene,it can easily get these parameters,but for some
other special structures,when i use the commond :input<systemlable.EPSIMG,it
may come to a warning:Fsum rule is not fulfilled by more than a 20%
The dielectric function will be extended to higher energies by enforcing the
Fsum rule This will increase the quality of the quantities
calculated via the Kramers-Kroning relation.
i am wondering if some of you have faced the same problem,can you tell me how
to avoid it ?and whether it can change the result of the calculation and what i
must to be careful?thanks very much!!
全国最低价，天天在家冲照片，24小时发货上门！
