[QE-users] V-relax of slabs.
Jagapathi Babu
bjbabu.mt at gmail.com
Mon Sep 27 08:06:28 CEST 2021
Dear Pwscf users,
Hi, i am doing vc relax for (100) slab of Monoclinic unit cell by
giving 20 Angstorms vacuum in X-axis ,2*2*2 k-mesh, 48Ry ecutoff, 480Ry
charge density, but it is showing an error Not enough space allocated for
radial FTT:try restarting with a larger cell_factor. Please guide me
through this and if suggest me if you have any other method for doing
vc-relax to slabs.
Thank you.
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