[gpaw-users] Units of DOS

[Ask Hjorth Larsen]

Hi

It seems to me that the behaviour is correct:

http://dcwww.camd.dtu.dk/~askhl/files/ag-dos-size-consistency.py
http://dcwww.camd.dtu.dk/~askhl/files/ag-dos-size-consistency.png

This compares the DOS of 1-atom Ag bulk and 8-atom Ag bulk with
correspondingly halved k-point sampling.

The two graphs are identical if the DOS of the larger system is scaled
down by a factor of 8 (this is what the plot shows).

The area below the graph is equal to the number of bands used in the
calculation.

How did you manage to get the exact same result in spite of changing
the size of one of the systems?

Best regards
Ask

2017-02-06 15:13 GMT+01:00 Jens Jørgen Mortensen via gpaw-users
<gpaw-users at listserv.fysik.dtu.dk>:
> On 01/27/2017 12:40 PM, Meeri Lembinen via gpaw-users wrote:
>>
>> Dear GPAW users,
>>
>> I was calculating the DOS using GPAW and was not entirely sure what units
>> are given for a DOS spectra. I calculated spectra for Li crystal with
>> different sizes and got the exact same result indicating that it is already
>> for a unit volume. Is the unit volume in onströms and the energy in eV?
>
>
> We should write that in our documentation.  How did you calculate the DOS?
>
> Jens Jørgen
>
>>
>> Looking forward to the response,
>> Meeri Lembinen
>>
>>
>> _______________________________________________
>> gpaw-users mailing list
>> gpaw-users at listserv.fysik.dtu.dk
>> https://listserv.fysik.dtu.dk/mailman/listinfo/gpaw-users
>
>
> _______________________________________________
> gpaw-users mailing list
> gpaw-users at listserv.fysik.dtu.dk
> https://listserv.fysik.dtu.dk/mailman/listinfo/gpaw-users