29.01.2018 00:16, chin Sabsu wrote:
> On FAQ you have written a nice explanation but I failed to understand it.
It is better to write what exactly you failed to understand.
> The most efficient method
Such an error depends on the system and parameters you have chosen, so
it is better to send us the struct file and parameters.
> The error is coming for Cubic perovskite when I optimize the
structure with "run_lapw ....-min" option (while with min_lapw I am not
getting any error).
This is not clear for me, do explain.
Nevertheless, a hint: if you do not know parameters, taking the
parameters from other calculation sometimes helps (Fermi energy EF=,
global E-parameters, energies of levels in in1)
WFFIL EF= 0.50000 <---
0.30 5 0 <---GLOBAL E-PARAMETER
1 0.30 0.0000 CONT 1 <--energies of levels
1 -6.09 0.0001 STOP 1 <--
2 0.30 0.0000 CONT 1 <--
2 -1.55 0.0010 CONT 1 <--
Best wishes
Lyudmila Dobysheva
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