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Bugfix: viscosity outputs #207

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merged 40 commits into from
Dec 30, 2023
Merged

Bugfix: viscosity outputs #207

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2279c6e
draft fixes to the viscosity calculations
jcoulter12 Sep 19, 2023
bfdf721
fix the viscosity unit conversion value in constants
jcoulter12 Sep 19, 2023
f8ea7f5
drafts of unified print and outputToJSON functions for the viscosities
jcoulter12 Sep 19, 2023
6d3d38d
electron viscosity should work now baring final test
jcoulter12 Sep 20, 2023
5d3291f
move special eigenvector checks into helper functions and further cle…
jcoulter12 Sep 20, 2023
b488e04
further cleanup of print statements
jcoulter12 Sep 20, 2023
fc39129
[ci skip] also skip theta_e in electron viscosity
jcoulter12 Sep 20, 2023
a012d1e
potential minor bugfix for longrange correction to phonon frequencies
jcoulter12 Oct 12, 2023
dc51466
Merge remote-tracking branch 'origin/develop' into lotoFix
jcoulter12 Oct 12, 2023
42b7c44
merge in develop branch changes
jcoulter12 Oct 13, 2023
56fa002
vi
jcoulter12 Oct 13, 2023
5598ce9
move two minor functions for getting local states to the scattering m…
jcoulter12 Oct 13, 2023
d7e735b
move phonon viscosity class around so that special quantities for rel…
jcoulter12 Oct 13, 2023
a74a781
add a generic funciton to write D and W to file
jcoulter12 Oct 13, 2023
340c58d
add output functions for real space quantities to phonon transport app
jcoulter12 Oct 13, 2023
d097987
try to apply SI units to output of A and C
jcoulter12 Oct 14, 2023
4b5c1a1
update the band structure test to use a grid that avoids high symmetr…
jcoulter12 Oct 16, 2023
9158538
fix units on specific heat
jcoulter12 Oct 16, 2023
ea82085
fix units on specific heat
jcoulter12 Oct 16, 2023
3fbb795
Merge remote-tracking branch 'origin/lotoFix' into viscosityFix
jcoulter12 Oct 16, 2023
59c1e46
fix the units on Ai output to real space solver file
jcoulter12 Oct 16, 2023
c335021
add reference checks for phonon relaxons solvers
jcoulter12 Oct 16, 2023
b80f471
update a bunch of reference files for testing that had become off by …
jcoulter12 Oct 17, 2023
9940078
update run_check scripts to be far more robust and sensitive, plus ad…
jcoulter12 Oct 17, 2023
a2eb1a0
add a few more places where diff < tol needed to be abs(diff)
jcoulter12 Oct 17, 2023
74d93db
update rta electron viscosity ref file
jcoulter12 Oct 17, 2023
f90785b
add script to run build and test locally
jcoulter12 Oct 17, 2023
7d681f2
add a tol definition to epa run_check python script
jcoulter12 Oct 17, 2023
e9b4a67
[skip ci] add some checks for none type in lifetimes
jcoulter12 Oct 17, 2023
b143457
overhaul electron and phonon viscosity outputs so that many functions…
jcoulter12 Oct 18, 2023
4221f09
simplify a previously cryptic normalization convention on phi
jcoulter12 Oct 18, 2023
11d0e19
add citation to second relaxons paper
jcoulter12 Oct 18, 2023
eb2a4a5
fix units on Du
jcoulter12 Oct 18, 2023
6afa12f
update the reference for real space coeffs
jcoulter12 Oct 18, 2023
b4a0e41
try to avoid a failure in the ci
jcoulter12 Oct 19, 2023
3fd5bab
explicitly set C = 0 before calculating it
jcoulter12 Oct 19, 2023
1223b0c
prepare for use of only the upper triangle in viscosity functions
jcoulter12 Oct 19, 2023
fd329cd
add an extra space for better printing
jcoulter12 Oct 20, 2023
b63319b
Merge remote-tracking branch 'origin/develop' into viscosityFix
jcoulter12 Dec 29, 2023
c4ce081
remove factor of 1/2 in phonon loto splitting calculation, to be read…
jcoulter12 Dec 29, 2023
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444 changes: 222 additions & 222 deletions example/Silicon-el/reference/electron_dos.json
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74 changes: 37 additions & 37 deletions example/Silicon-el/reference/omini_onsager_coefficients.json
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"chemicalPotentialUnit": "eV",
"chemicalPotentials": [
6.035118218880154
6.035118218880156
],
"dopingConcentrationUnit": "cm$^{-3}$",
"dopingConcentrations": [
Expand All @@ -10,59 +10,59 @@
"electricalConductivity": [
[
[
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],
[
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],
[
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]
]
],
"electricalConductivityUnit": "S / m",
"electronicThermalConductivity": [
[
[
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],
"electronicThermalConductivityUnit": "W / m / K",
"mobility": [
[
[
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],
[
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]
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],
Expand All @@ -71,19 +71,19 @@
"seebeckCoefficient": [
[
[
-3.7424372418452587,
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]
]
],
Expand Down
74 changes: 37 additions & 37 deletions example/Silicon-el/reference/relaxons_onsager_coefficients.json
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
{
"chemicalPotentialUnit": "eV",
"chemicalPotentials": [
6.035118218880154
6.035118218880156
],
"dopingConcentrationUnit": "cm$^{-3}$",
"dopingConcentrations": [
Expand All @@ -10,59 +10,59 @@
"electricalConductivity": [
[
[
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-290006.58107817103,
4436.32221254359
1067530.7770820311,
-290006.61310913746,
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],
[
-290006.5810781712,
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-338000.6402307394
],
[
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-338000.6402307394,
1000065.8037742544
]
]
],
"electricalConductivityUnit": "S / m",
"electronicThermalConductivity": [
[
[
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-0.17081690174008166,
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],
[
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],
[
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]
]
],
"electronicThermalConductivityUnit": "W / m / K",
"mobility": [
[
[
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]
]
],
Expand All @@ -71,19 +71,19 @@
"seebeckCoefficient": [
[
[
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[
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-59.60329408298884
]
]
],
Expand Down
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