1、When I calculate the GW-BSE collision step, I always encounter a memory overflow issue. Then I used 100 CPUs and set up
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RT_CPU= "10.2.5" # [PARALLEL] CPUs for each role
RT_ROLEs= "k.b.q" # [PARALLEL] CPUs roles (k,b,q,qp)
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[ERROR] STOP signal received while in[06] Extended collisions
[ERROR] USER parallel structure does not fit the current run parameters. HARTREE+SEX COLLISIONS
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RT_CPU= "100.1.1" # [PARALLEL] CPUs for each role
RT_ROLEs= "k.b.q" # [PARALLEL] CPUs roles (k,b,q,qp)
2、While calculating the two-dimensional material, I observed that the second harmonic generation (SHG) output in the z-direction (Xz**) is showing no value. However, based on the material's symmetry, I would expect it to have a non-zero value. Could you please help clarify why this might be the case?Thank you for your assistance!
Best,
sunxl