e.
As to the Fermi level, I didn't pay attention on it at that moment and the
structure had been deleted, so I can't answer why. But my recent results
show that all my Fermi Levels are negative.
Thank you !
Holin Chen
2011/3/13 Guangping Zhang
> Dear Holin Chen and Albert
Dear all,
Resently when I used Transiesta , I met the warning as followed. I
wonder what cause this problem and whether the result is believable.
Thanks in advance!
Holin Chen
FAILED inversion in Pulayx
transiesta: 18115396.783415381.174115381.1741 0.0031 2.8829
Try the setting as followed
DM.MixingWeight 0.05
DM.NumberPulay10
and increase the k_grid sampling, 6*6*1 is too small.
2011/1/1 Marcos Veríssimo Alves
> The usual suspects apply: decrease the mixing weight to 0.05 or even 0.01,
> if necessary.
>
> Happy New Year,
>
> Marcos
>
> 2010/12/31
Ef-V/2 ; TS.TBT.Emax Ef+V/2;( V is the bias voltage)
> otherwise we just need to set TS.TBT.Emin -V/2 TS.TBT.Emax +V/2?
>
> Thank you in advance.
>
> Holin Chen
>
>
t
the TS.TBT.Emin Ef-V/2 ; TS.TBT.Emax Ef+V/2;( V is the bias voltage)
otherwise we just need to set TS.TBT.Emin -V/2 TS.TBT.Emax +V/2?
Thank you in advance.
Holin Chen
he results of Transiesta in tiny
tunneling current calculation is believable?
Thanks.
Holin Chen
RE: [SIESTA-L] Who can help me!
Jose A. Torres
Thu, 17 Jun 2010 08:57:42 -0700
Dear Mengqiu:
Transiesta is designed to give accurate
calculations of larger currents, it is designed
for the conta
Marcos
Thank you.
We are using ifort compiler.
Holin Chen
2010/10/1 Marcos Veríssimo Alves
> Chen,
>
> I have never performed serious transport calculations to this moment, so I
> am not aware of the possible difficulties from the point of view of the
> physics. I was only
uction about it.
And what is TS.TBT.Eta mean? How it effect the results?
Thanks!
Holin Chen
2010/10/1 Marcos Veríssimo Alves
> Chen,
>
> Apart from the processors being different in the bits, is the compiler
> exactly the same (I mean, same version for the compiler and libraries)? If
&
I see, I will try again.
Thank you very much !
2010/9/6 deepak srinivasan
>
>
> yes it can
> you have to put BandLines block for it
>
> --
> regards
> deepak
> 3rd Year Under Graduate
> Electronics Design and Manufacturing
> IIIT (D&M),Kancheepuram
> IIT Madras Campus,Chennai
>
0 3 N 1 0.0 0.00099 0.0 -0.00040
0 4 N 1 0.0 0.00139 0.0 -0.00040
0 5 N 1 0.0 0.00179 0.0 -0.00040
I thought that N meaning none voltage.
I am upset with the problem for a long time.
Waiting for your helps.
Thanks !
Holin Chen
sta ? If can, how to write the options?
Thanks in advance!
Holin Chen
ping Program from Node: 15
> > Error in Cholesky factorisation in cdiag
> > Stopping Program from Node: 13
> > etc...
Holin Chen
5th Sep
ve me some help,
thank you !
Holin Chen
5th Sep
will quit out automatically while if the voltage is 0.02
V, everything is fine. I am confused that why it will go wrong in some
voltage value?
Thanks!
Holin Chen
-
my fdf :
SystemName scat
System
you should give more details about the error.
2010/8/20 xiaoru pei
> Hello everyone:
> I am a new user of siesta.Nowadays I am using the transiesta
> to simulate the current.However ,I cannot run the programme correctly. When
> I run the tbtrans , I always meet one error.Would you please
Dear all,
I've been encountered a strange problem that when i calculate my
structure with transiesta, the program will automatically quit out with the
follow message.
But when i was calculating a similar structure which is double bigger with a
double voltage, everything went smoothly.
I am qui
ed to
> use many k-points.
> The first option scales almost linearly with the number of CPU.
>
> Regards
> Ruslan Zhachuk
>
>
> 2010/8/16 holin chen
>
> Dear all ,
>> In order to accelerate the speed of siesta and transiesta
>> calculation,
>> we a
Dear all ,
In order to accelerate the speed of siesta and transiesta
calculation,
we are going to add the CPU number , I am wondering whether there is a
limit of CPUs or a saturation of calculation speed?
Thanks!
Holin Chen
16th August
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