[Pw_forum] how to deal with the IR calculation for a metal--no smearing option in scf can not convergence

[xu yuehua]

Dear all:

i want to calculate the IR intensity for metal.

now, i have deleted the occupation option and so on in SCF file base upon
the suggestion in this forum,

but  the scf can not convergence, so it is serious, i have changed other
parameters, such as mix_beta.mix_mode.

still not convergence,

so i am thinking about how to deal with this problem?/

anyone who experience the same question, please give me some ideas.

i would be appreciated






-- 
Yuehua Xu
Group of Computational Condensed Matter Physics,
National Laboratory of Solid State Microstructures and Department of
Physics,
Nanjing University,
Nanjing 210093,
P. R. China
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