[Pw_forum] Fwd: vc-relax optimization of the atomic structure

ali mehdizadeh ali.mehdizadeh.physics1992 at gmail.com
Fri Jun 2 13:49:28 CEST 2017


---------- Forwarded message ----------
From: ali mehdizadeh <ali.mehdizadeh.physics1992 at gmail.com>
Date: Mon, May 29, 2017 at 2:31 AM
Subject: vc-relax optimization of the atomic structure
To: pw_forum at pwscf.org


hello
i want to calculation vc-relax quantum dots MAPbBr3 . how do i choose
ecutoff for QDS 2.5 nm .i have chosen ecutoff 30 ry for bulk MAPbBr3
so how do i choose ecutoff for QDS 2.5 nm
thank you.
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