*发件人：*Jingxian Yu
*发送时间：*2014-06-30 11:08
*主题：*Re: [SIESTA-L] Non equilibrium density of states in Transiesta
*收件人：*"zgp121","siesta-l"
*抄送：*
Dear Gu
Figure 3a is the dependence of projected DOS on E-Ef.
I never get figures like figure 3b. Figure 3c can be obtained from inelastica.
Cheers.
Guangping
2014-06-30
发件人：Jingxian Yu
发送时间：2014-06-30 11:08
主题：Re: [SIESTA-L] Non equilibrium density of states in Transiesta
收件人："zgp121&quo
he
link on how to install and use this package. Maybe someone else can help on
this.
Cheers,
Guangping
2014-06-30
发件人：Jingxian Yu
发送时间：2014-06-30 10:50
主题：Re: [SIESTA-L] Non equilibrium density of states in Transiesta
收件人："akshu hans","siesta-l"
抄送：
Hi Akshu,
I d
ergy levels of vacumm are the same in the two calculation.
Cheers
Guangping
2014-06-28
*发件人：*Jingxian Yu
*发送时间：*2014-06-28 01:59
*主题：*[SIESTA-L] Non equ
10:30
主题：Re: [SIESTA-L] Non equilibrium density of states in Transiesta
收件人："akshu hans","siesta-l"
抄送：
Hi Akshu
These numbers are a set of eigenvalues for the organic molecule in your
scattering region. Did you set your atom_list.txt file correctly?
In you atom_list.txt fil
--
*发件人：*Jingxian Yu <mailto:a1196...@adelaide.edu.au>>
*发送时 间：*2014-06-28 01:59
*主题：*[SIESTA-L] Non equilibrium density of states in Transiesta
*收件人：*"siesta-l"mailto:siesta-l@uam.es>>
*抄送：*
Dear All
When I went through the Siesta-L, I found the fol
*发件人：*Akshu
*发送时间：*2014-06-28 19:21
*主题：*Re: [SIESTA-L] Non equilibrium density of states in Transiesta
*收件人：*"siesta-l@uam.es"
*抄送：*
Hi,
Is it possible to calculate homo and lumo (mpsh eigen states) of the
molecule
SIESTA, to extended this code to calculate the eigenvector.
Cheers,
Guangping
2014-06-28
发件人：Akshu
发送时间：2014-06-28 19:21
主题：Re: [SIESTA-L] Non equilibrium density of states in
Transiesta
收件人："siesta-l@uam.es"
抄送：
Guangping
2014-06-28
*发件人：*Jingxian Yu
*发送时间：*2014-06-28 01:59
*主题：*[SIESTA-L] Non equilibrium density of states in Transiesta
*收件人：*"siesta-l"
*抄送：*
Dear All
When I went thr
Guangping
2014-06-28
*发件人：*Jingxian Yu
*发送时间：*2014-06-28 01:59
*主题：*[SIESTA-L] Non equilibrium density of states in Transiesta
*收件人：*"siesta-l"
*抄送：*
Dear All
When I went thr
*发件人：*Jingxian Yu
*发送时间：*2014-06-28 01:59
*主题：*[SIESTA-L] Non equilibrium density of states in Transiesta
*收件人：*"siesta-l"
*抄送：*
Dear All
When I went through the Siesta-L, I found the following mess
.
It is welcome for anyone, who is familar with the basis set of SIESTA, to
extended this code to calculate the eigenvector.
Cheers,
Guangping
2014-06-28
发件人：Akshu
发送时间：2014-06-28 19:21
主题：Re: [SIESTA-L] Non equilibrium density of states in Transiesta
收件人："siesta-l@uam.es"
we should make the energy
> levels of vacumm are the same in the two calculation.
>
> Cheers
>
> Guangping
>
> 2014-06-28
> 发件人：Jingxian Yu
> 发送时间：2014-06-28 01:59
> 主题：[SIESTA-L] Non equilibrium density of states in Transiesta
> 收件人："siesta-l"
>
Dear All
When I went through the Siesta-L, I found the following message posted
in February 2013. I am quite interested in the same question.
Unfortunately, nobody answered it. Can anyone have any suggestion? Cheers!
Jin
[SIESTA-L] Non equilibrium density of states in Transiesta
<ht
Hey Siesta/Transiesta Users,
I have a question about Transiesta. in particular I am interested in how to
calculate the density of states (total, projected, local) at non
equilibrium (under non zero bias). The problem is that if I include, let's
say, a block "ProjectedDensityOfStates" into the regu
Hey Siesta/Transiesta Users,
I have a question about Transiesta. in particular I am interested in how to
calculate the density of states (total, projected, local) at non
equilibrium (under non zero bias). The problem is that if I include, let's
say, a block "ProjectedDensityOfStates" into the regu
Hey Siesta/Transiesta Users,
I have a question about the Transiesta. in particular I am interested in
how to calculate the density of states (total, projected, local) at non
equilibrium (under non zero bias). The problem is that if I include, let's
say, a block "ProjectedDensityOfStates" into the
Hey Siesta/Transiesta Users,
I have a question about Transiesta. in particular I am interested in how to
calculate the density of states (total, projected, local) at non
equilibrium (under non zero bias). The problem is that if I include, let's
say, a block "ProjectedDensityOfStates" into the regu
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