Dear Artem
2013/4/26 Akshu
> Dear nick
> I have a question about one of your notes
>
> 4) I also played with relaxation of the geometry of the SR. So I used several
> CG steps to equilibrate the structure. I expected,
>>
>>
>>
>> SIESTA first takes over and does the relaxation and then Transies
Dear Artem,
you already got a very exhaustive answer, but I like to add couple of
remarks as I find these points of interest.
On 04/25/2013 07:14 PM, Artem Baskin wrote:
> Dear SIESTA/TRANSIESTA users,
>
> I have recently read the paper (PRB 81, 205437) and found it very
> interesting and enligh