I am trying to run a scan where I have two dummy atoms (or sometimes a carbon atom) and then move a lithium atom in small steps between the two. The problem I have come across is that I am not allowed to set an angle of 0 degrees. The error reads:

"Error on Z-matrix line number 62: angle Alpha is outside the valid range of 0 to 180."

but line 62 reads (inserted table headings above):

CD Cent Atom N1 Length/X N2 Alpha/Y N3 Beta/Z J

62 61 Li 61 2.280000( 61) 1 0.000( 121) 2 0.000( 180) 0

Where the angle is 0.000. I'm assuming this means I can't do an angle of 0 degrees putting the Li on a straight line between the two atoms. So how else can I go about running this same scan, moving a Li atom along a straight line between two other atoms?

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