Dear Prof , I am working on HgI2 to have a good basis set for HgI2.My plan is to do calculation on HgI2 intercalated carbon nanotubes using siesta.I have done a single point calculation to get a basis set for HgI2.Herewith attaching my out file .Pressure is low .This pressure value is acceptable or not.If I reduce pressure further i think i can have a goodbasisset.Could you sugest for further improvement.
Sincerely Kuganathan --------------------------------- Do you Yahoo!? Make Yahoo! your home page
HgI2.run.o71514
Description: HgI2.run.o71514
