Dear Prasad Yasena,
By the way, you should also save your
calculations using the save_lapw command
after runsp_lapw -p -ec 0.1 -cc 0.0001 -so
Then comes the keyword
end
Tomas Kana
-- Původní e-mail --
Od: prasad jayasena
Komu: A Mailing list for WIEN2k users
Dear Prasad Jayasena
I think you have forgotten to add
the keyword
end
at the end of the script.
Tomas
Re: [Wien] Volume optimization
Dear Dr. Gerhad
I am not good at programing. So I am not sure whether what I have tried is what
you have said. I copied the optimize.job
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