[Wien] LOPW-exhausted for atom 4 PASS 1 had to reduce check 0.010000

[Rui Costa]

Dear wien2k users,

I am trying to minimize the positions of the compound YIG to get forces
below 1 mRy/bohr but instead I am always getting forces around 3 mRy/bohr,
and in every iteration I am getting the warning message: "LOPW-exhausted
for atom    4 PASS 1  had to reduce check 0.010000", where atom 4 is the
Oxygen and it is the only with free structural parameters.

I have searched the mailing list ([
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13899.html]
and [
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14393.html])
and it seems that the problem is a low RKmax but I have done the
calculations from RKmax=6 to 10 and the warning persists.

Also, if I do a 1x1x1 P supercell (160 atoms) this warning disappears.

Should I increase the RKmax until I no longer get the warning or is there
an alternative?

Best regards,
Rui Costa.
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