Hi All,
I run DMol3 calculations. I wanted to use the keyword "basis mixed", unfortunately, I had an error saying that this keyword is undefiend. Please find the .input and .outmol files attached. I would highly appreciate any help.
Ibrahim
Hi All,
I run DMol3 calculations. I wanted to use the keyword "basis mixed", unfortunately, I had an error saying that this keyword is undefiend. Please find the .input and .outmol files attached. I would highly appreciate any help.
Ibrahim