[Wien] Persisting LOPW and LAPW1 errors

[Muhammad Sajjad]

Dear Peter Bala and other wien2k users

I am running SCF calculations for Se (structure is attached) with WCGGA and
LSDA using Wien2k 12 version. With WCGGA, an error LOPW (plan waves
exhausted) appear and I try to solve it as suggested in M. list (like
increasing Rkmax,switching to broading method TEMP=0.002, decreasing
kpoints) ut the proplem is still appearing.

Then I used LSDA and tis time the error arises in LAPW 1 and its statement
is

Error in LAPW1

 'SELECT' - no energy limits found for atom   1  L=
2

 'SELECT' - E-bottom -200.00000   E-top
-200.00000

According to UG  and M.list suggestions ( decresing Rkmax, switching to
broading method (TEMP=0.02), increasing Gmax values, reducing mixing factor
to 0.1 and switching to PRATT mixing scheme, increasing difference between
Gmax and Gmin) but the same error persists.



Kindly suggest me the possible solution.

With thanks and regards.

M. Sajjad
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