calculate the basic parameter of Si molecule

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sanjaysahare20
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calculate the basic parameter of Si molecule

#1 Post by sanjaysahare20 » Wed Feb 03, 2010 11:11 am

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.
Last edited by sanjaysahare20 on Wed Feb 03, 2010 11:11 am, edited 1 time in total.

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calculate the basic parameter of Si molecule

#2 Post by admin » Fri Feb 05, 2010 2:27 pm

which errors do you get?
for the viewer, please contact the developers of the tool.
Last edited by admin on Fri Feb 05, 2010 2:27 pm, edited 1 time in total.

panda

calculate the basic parameter of Si molecule

#3 Post by panda » Fri Feb 05, 2010 7:10 pm

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.
Last edited by panda on Fri Feb 05, 2010 7:10 pm, edited 1 time in total.

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