[Wien] Convergence check

[Hui Wang]

Dear wien2k master:
    I have 2 problems about convergence check, please see below: 
    (1) If there is crystal structure, we don't know its equilibrium lattice constant, I am wondering which quantity should be determined first, such as: equilibrium lattice constant, RKM, kpoints ? 
my understanding:
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(1)use all the default value and a reasonable kmesh to determin the equilibrium lattice constant first, then test kpoints in this equilibrium lattice constant to get sufficient kpoints, and last use the tested kpoints and this equilibrium lattice constant to test RKM, to find a good RKM. Then to get the physical or mechanical properties.
(2)use the experimental lattice constant first, test kpoints and then test RKM. Last, use the tested kpoints and RKM to optimize this structure to determin the theoritical equilibrium lattice constant. then to get the physical or mechanical properties.
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Correct me if i am wrong? or show me the sequence of how to do these convergence check ? Thanks.
 
    (2)Besides the RKM, kpoints, are there some other parameters which are very important or very sensitive to the system during the process of total energy convergence check, especially for magnetic system ?
 
    Thanks in advance:)
 
yours sincerely:
Hui 

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