[Wien] the parameter of denominator in the file of case.in5
Zhou Bing
umbingz at isl.ac.cn
Sun Mar 4 15:04:14 CET 2012
Dear all,
According to UG (p.119), the first three lines in the file of case.in5 determine the plane for plotting electron density, however, I do not understand the parameter of the 4th column (denominator): is it arbitrary? how to determine a proper denominator?
Another quesiton is that it seems the number in 4th row (x, y, z nshells) do not change the plot, am I right?
Any comments, suggestions and instructions are highly appreciated!
Best wishes,
Bing
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