[Wien] StructGen question

[Gavin Abo]

There is an example of hcp Cd at:

http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg08314.html

As seen, spacegroup 194 should be selected in StructGen.  The lattice 
parameters are entered:

a = 5.63 bohr, b = 5.63 bohr, c = 10.61 bohr
alpha = 90, beta = 90, gamma = 120

The nonequivalent atomic position(s) are entered:

Cd X=0.33333333 Y=0.66666667 Z=0.25000000

Of note, a common user mistake occurs for fractions.  For example for 
2/3, it should not be entered as 0.666 with only 3 positions after the 
decimal, but entered instead as 2/3 so that StructGen sets it out to the 
full number of positions (i.e., 0.66666667) 
[http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg07800.html].

On 5/4/2014 12:09 PM, jhirsch at ucsd.edu wrote:
> Please excuse the elementary question, I'm having trouble with StructGen
> What's the StructGen input for an hcp crystai?
> Thank you!
> Jorge Hirsch