Activity for Yelda Kadioglu
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Yelda Kadioglu posted a comment on discussion Elk Users
Thank you very much Muhammad Best , Yelda
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You say first i should test rgkmax, nempty, ... parameters one by one ,ok i will. Although that error about linearisation energy ("Warning(linengy): could not find 1 linearisation energies in s.c. loop ..."), job is done as i understand (it is written "elk code stopped" at the end of output). Is that result including this error wrong ? Thanks in advance
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Hi, im learning elk and using version 4.0.15, when i run the job below, i take the error "Warning(linengy): could not find 1 linearisation energies in s.c. loop ..." and "Warning(rhonorm): total charge density incorrect for s.c. loop .. " for lots of iteration (such as 1, 2,...19, 20,21...) My input: tasks 2 latvopt 1 xctype 20 trimvg .true. ngridk 10 10 1 scale1 1.88972612457 scale2 1.88972612457 scale3 1.0 avec 2.4680000000000000 0.0000000000000000 0.0000000000000000 1.2344444440000000 2.1373506966000000...
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