Dear users, I am working with calcite in Quantum Espresso 7.1. I want to perform a vc-relax calculation for 3 layers of calcite but after 100 iterations convergence is not achieved. I changed the mixing beta but it did not work.
I have attached the input file with this mail. Kindly let me know how I should proceed for both the convergence. Sincerely, Saiyed Tasnim Md Fahim, Ph.D. Student, Environmental Engineering, University of Southern California.
calcite_226.vcrelax (1).in
Description: Binary data
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