Dear QE experts, I am trying to run the SCF code for Fe2CrSn. But it is not coverging even after 1000 iterations.
I have tried the same with different *celldm* value. For a higher celldm it is converging. I have tried changing the mixing beta, but it did not help. I am attaching my input file below. Please somebody tell me what are the mistakes I am doing. Thanking you in advance, Sayan Chaudhuri Research Scholar IIT Indore India
cr100.scf.in
Description: Binary data
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