Many thanks. I will try it.
Weyl Fang
Graduate student
State Key Laboratory of Materials-oriented Chemical Engineering
Nanjing University of Technology, 210009, Nanjing, China
*
Hi Nguyen,
I would say if you want to get something out of your PDOS file you have to
mine the data yourself. Below I am sharing a script I generated in matlab; it's
got a number of lines hardcoded (so it could be better coded for a general
purpose) but it does what I need. You would need t
I find extremely impolite when someone hurry the collaborators of this list
to answer his questions.
In special if this question can be solved by consulting the user's manual!
On Wed, Oct 20, 2010 at 4:56 PM, Nguyen Doan Sau wrote:
> Hi Siesta users,
> I have two quick questions.
> First, ho
Hi Siesta users,
I have two quick questions.
First, how do we get the integrated Pdos in Siesta
Second, how do we get the integrated COHP in Siesta.
Could anyone help me on those question quickly!
Thanks,
Sau Nguyen
U of Houston
Dear SIESTA users and developers :)
I have run into troubles trying to optimize my system (water solution of
silica species). Since it is composed of ~2000 atoms, the only
reasonable approach seems to be the Order-N method in parallel, but I
cannot set up the calculations.
1. If I run the job in
