[CPMD-list] About CPMD run like Gaussian 98

Takayuki Katsuda katsuda at kuchem.kyoto-u.ac.jp
Tue Feb 4 13:07:26 CET 2003

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1. How to run the CPMD program using BLYP/6-31G* basis function (Gaussian
basis function) ?

Please give me inputfile example of structural optimization of h2o molecule.





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