[CPMD-list] hi

[haider abbas]

Dear all cpmd user,

i am using "libatlas.a" library  what will be the form
of input file, path of library etc. i need some
computational detail for the following problem.

1-geometry optimisation of coumarin 120,coumarin 153
(organic laser dyes molecules )
2-molecular dynamics simulation of the above said
molecules in methanol
3-electronic structure development of these molecules
in methanol

thanks


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