... | @@ -11,6 +11,8 @@ npartconveps 1.0e-6 # number of particles convergence epsilon |
... | @@ -11,6 +11,8 @@ npartconveps 1.0e-6 # number of particles convergence epsilon |
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# and total particle number must be smaller than npartconveps
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# and total particle number must be smaller than npartconveps
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# for converged solution
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# for converged solution
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# default=1.0e-6
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# default=1.0e-6
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# npartconveps_a 1.0e-6 # or you can control npartconveps for each component separately using tags with `a` ...
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# npartconveps_b 1.0e-6 # ... and `b` suffixes.
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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` for each entry ($`E_{\textrm{ffg}}=\frac{3}{5}N\varepsilon_F`$):
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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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... | @@ -19,7 +21,7 @@ The solution is regarded as *converged* when all contributions to the energy sat |
... | @@ -19,7 +21,7 @@ The solution is regarded as *converged* when all contributions to the energy sat |
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```
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```
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and particle number satisfies criteria `npartconveps`:
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and particle number satisfies criteria `npartconveps`:
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```math
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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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\dfrac{|N_{\sigma}^{(i)}-N_{\sigma}^{(input)}|}{N_{\uparrow}^{(input)}+N_{\downarrow}^{(input)}}<\varepsilon_{\textrm{npart}}^{(\sigma)}
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```
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```
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Info about the status of convergence is printed on standard output.
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Info about the status of convergence is printed on standard output.
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... | | ... | |