... | @@ -13,7 +13,16 @@ npartconveps 1.0e-6 # number of particles convergence epsilon |
... | @@ -13,7 +13,16 @@ npartconveps 1.0e-6 # number of particles convergence epsilon |
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# default=1.0e-6
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# default=1.0e-6
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```
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```
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The solution is regarded as *converged* when all contributions to the energy satisfy `energyconvep` and particle number satisfies criteria `npartconveps`. Info about the status of convergence is printed on standard output.
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The solution is regarded as *converged* when all contributions to the energy satisfy `energyconvep` for each entry ($`E_{\textrm{ffg}}=\frac{3}{5}N\varepsilon_F`$):
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```math
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\dfrac{|E_{\textrm{entry}}^{(i)}-E_{\textrm{entry}}^{(i-1)}|}{E_{\textrm{ffg}}}<\varepsilon_{\textrm{energy}}
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```
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and particle number satisfies criteria `npartconveps`:
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```math
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\dfrac{|N_{\sigma}^{(i)}-N_{\sigma}^{(input)}|}{N_{\uparrow}^{(input)}+N_{\downarrow}^{(input)}}<\varepsilon_{\textrm{npart}}
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```
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Info about the status of convergence is printed on standard output.
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Example of a report for converged solution for input parameters:
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Example of a report for converged solution for input parameters:
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```bash
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```bash
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Na 17 # requested particle number, spin-a
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Na 17 # requested particle number, spin-a
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