[Pw_forum] equilibrium volume

[mohaddeseh abbasnejad]

Dear all
When I run an scf calculation for the equilibrium volume obtained by the
Murnaghan-fit, the stresses are too far from zero.
Should i expect this volume to be zero pressure volume, or there is a
problem in the calculation?
Thanx for any comment

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Mohaddeseh Abbasnejad,
Room No. 323, Department of Physics,
University of Tehran, North Karegar Ave.,
Tehran, P.O. Box: 14395-547- IRAN
Tel. No.: +98 21 6111 8634  & Fax No.: +98 21 8800 4781
Cellphone: +989177317514
E-Mail:     m.abbasnejad at gmail.com
Website:  http://physics.ut.ac.ir

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