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calculate the basic parameter of Si molecule

Posted: Wed Feb 03, 2010 11:11 am
by sanjaysahare20
Dear All VASP users,

I am Working with Si molecule. I want to calculate some basic parameter of silicon molecule. When i run the vasp it gives some run code error. and i also want to know that, "When I increase the no of atom of Si, this is not visualise in VMD viewer. it shows only two atom.

Can anybody help me? I am very greatfull for this. Thank You.

calculate the basic parameter of Si molecule

Posted: Fri Feb 05, 2010 2:27 pm
by admin
which errors do you get?
for the viewer, please contact the developers of the tool.

calculate the basic parameter of Si molecule

Posted: Fri Feb 05, 2010 7:10 pm
by panda
I think you are getting only one atom because like in jmol, if you have a .cif file with symmetrically equivalent positions, you will only see the unique atoms, the non-unique atoms will be masked from view because a symmetric projection can reproduce those points in space. If you are unsure just format the input file for vmd as an xyz file, and enter the positions by hand.