TURBOMOLE Users Forum
General FAQ => General FAQ => Topic started by: turbomaster on December 17, 2006, 12:32:15 PM
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Q: What does this error from RIDFT mean?
MISSING BASIS SET SPECIFICATION(S) IN $atoms
BE SURE TO ADD THE REMAINING BASIS SETS !
A:
You may have changed the $atoms data group in the control file by hand, but the lines have become confused. All the data for each atomic type must be on one line - the line is continued using a backslash, for example
$atoms
o 1-2 \
jbas =o SVP \
basis =o SVP