FLOSIC

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how to print exchange and correlation energies in SCAN+FLOSIC
Hi, In SCAN+FLOSIC calculations I need to print exchange and correlation energies separately for one-electron orbitals. These quantities are printed in PBE+FLOSIC and LDA+FLOSIC calculations in the file SIC_ENERGY (last 4 columns) as well as in the output. How can...
Views: 4   Replies: 0
Last Post: Dec 12, 2018
by Biswajit Santra
j
Juan
FOD optimization
What is the fastest way to optimized FODs? (this is a test)
Views: 36   Replies: 3
Last Post: Oct 31, 2018
by Kamal Sharkas
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