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warning.log shows “soc does not support gamma only calculation” when I am sure that lspinorb is set to be 0 #300

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ZhongShen666 opened this issue Mar 24, 2024 · 1 comment

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@ZhongShen666
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Describe the bug

warning.log shows “soc does not support gamma only calculation” when I am sure that lspinorb is set to be 0.

Email: [email protected]

My input:
INPUT_PARAMETERS
suffix XXX
ntype 3
pseudo_dir XXX/abacus/SG15_ONCV_v1.0_upf
orbital_dir XXX/abacus/SG15-Version1p0__StandardOrbitals-Version2p0
ecutwfc 40 # Rydberg
scf_thr 1e-4 # Rydberg
basis_type lcao
calculation scf #test_memory # this is the key parameter telling abacus to do a scf calculation
out_chg True
lspinorb 0
noncolin 1
vdw_method d3_0
gamma_only 1
#nspin 4
#exx_distribute_type kmeans2

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@dyzheng
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dyzheng commented Mar 25, 2024

Hello, as suggested in #274 , migrate this Issue to deepmodeling#3779

@dyzheng dyzheng closed this as completed Mar 25, 2024
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