[Wien] Querie on the -i switch for iterations_Spin Polarized Cases

[Ghosh SUDDHASATTWA]

Dear Wien2k users, 

I was trying to volume optimize (some 5 structure changes, 4 atoms per
lattice) a cubic case with the command in the optimize.job

Runsp_lapw -cc 0.0001 -ec 0.0001 -i 90 -so -p 

However, in one or two cases, the SCF did not converge. What changes could
be made keeping the same accuracy of charge and energy convergence. 

 

SUDDHASATTWA GHOSH 

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