To rent a convergence test in any input parameters you have to make consideration first on your materials which will be used in the simulation. Secondly, referee to previous works according to the materials. Thirdly, one's you insert the bibliographic inputs make run the calculation, after that, make another calculation but this time do some changes on the input file. For example mesh cutoff, we will say that you find 100, so you to make a runningcalculations, let say from 50 with a rate of 10. Do this work several times and at the end, draw a graph of mesh cutoff as a function of time and we always compare with the lowest energy system.

It is the same procedure for any parameter.

I wish I answered the question.

Peace.

Thankyou Mustapha Lasmi sir

Dear Mustapha Lasmi

I am having a doubt While doing convergence test what CG Value we need to give in .fdf (siesta) file.

Thank you