[Pw_forum] (no subject)
zahra sadat naghavi
szs_naghavi at yahoo.com
Wed Nov 18 19:33:15 CET 2009
Dear Pwscf users,
Could you please tell me is it possible to solve a system with pwscf that is not periodic?
For example, I would like to calculate phonon frequencies of a molecule with a larg amount of atoms such as 500,defining this molecule
in a periodic lattice is easy but its phonon caculation is impossilble here.
Does anybody have any solution?
Any helps are appricated.
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