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Published 20 hours ago • verified publisher icon mretegan

Failed to Write the Quanty input file for Ru 3d XPS in Crispy 0.7.3

Open arrackad opened this issue 3 years ago • 0 comments

Hi, I have done the XPS calculations using Crispy for Ru 1s, 2s, 3s, 3p, and other orbitals. But when I do the XPS calculation for Ru 3d, it is showing 'Failed to Write the Quanty input file.' Is this a bug? or whether any additional parameters has to be changed for Ru 3d?

arrackad avatar Mar 24 '21 06:03 arrackad