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1 parent ed854ea commit f3d414fCopy full SHA for f3d414f
example.sh renamed to example_NiO_OpenMX.sh
@@ -1,5 +1,10 @@
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#!/usr/bin/env bash
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-cd "examples/NiO/4cell/Ni6.0_O5.0-s2p2d2f1-4.25_0.0-4.180-k10"
+cd "examples/NiO_G-AFM.OpenMx"
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+
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+# Unzip dft result
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+# nio.scf : OpenMX full Hamiltonian info
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+# nio.HWR : Wannier Hamiltonian from OpenMX
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+tar xvf nio_dft_result.tar.xz
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# obtain J(q)
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julia -p 4 ~/.julia/v0.6/DFTforge/src/Spin_Exchange.jl -T nio_J_openmx.toml
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# J(q) -> J(R)
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