[Wien] RKMAX reduced due to NMATMAX

tran at theochem.tuwien.ac.at tran at theochem.tuwien.ac.at
Fri Dec 6 15:22:26 CET 2013

grep for :RKM in case.scf

On Fri, 6 Dec 2013, Parker, David S. wrote:

> Dear all: I am running a large calculation and got the above error message in case.scf, which I presume is due to a limit in param.inc
> on the size of the matrix to be diagonalized in lapw1.  Does anyone know where I can find the actual RKmax lapw1 used (not the value specified in case.in1)? Thanks in advance, David Parker
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