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Merge branch 'develop' into Stengel-Spaldin
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sjhong6230 authored Nov 20, 2024
2 parents 54d655d + 13f5a9a commit 84c34c3
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2 changes: 1 addition & 1 deletion docs/docs/user_guide/postw90/postw90params.md
Original file line number Diff line number Diff line change
Expand Up @@ -1216,7 +1216,7 @@ does not denend on $\omega$, the second column is filled by zeros. Data
is grouped in blocks of the same $\omega$ separated by two blank lines.
In case of natural optical activity the columns 3 to 11 contain the
independent components of $\gamma_{abc}$ (antisymmetric in $ab$): $yzx$,
$zxy$ ,$xyz$, $yzy$, $yzz$, $zxz$, $xyy$, $yzz$ and $zxx$. For tensors
$zxy$ ,$xyz$, $yzy$, $yzz$, $zxz$, $xyy$, $xyx$ and $zxx$. For tensors
$C_{ab}$, $D_{ab}$, $\widetilde D_{ab}$, $K_{ab}$ the symmetric and
antisymmetric components are writted. Thus, the columns 3 to 11 are
marked as $xx$, $yy$, $zz$, $xy$, $xz$, $yz$, $x$, $y$, $z$, wich
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2 changes: 1 addition & 1 deletion src/postw90/gyrotropic.F90
Original file line number Diff line number Diff line change
Expand Up @@ -1243,7 +1243,7 @@ subroutine gyrotropic_outprint_tensor_w(fermi_energy_list, fermi_n, file_unit, o
write (file_unit, '(a1,29x,a1,38x,a14,37x,a2,14x,a15,14x,a1)') '#', "|", "symmetric part", "||", "asymmetric part", "|"
write (file_unit, '(11a15)') '# EFERMI(eV)', "omega(eV)", 'xx', 'yy', 'zz', 'xy', 'xz', 'yz', 'x', 'y', 'z'
else
write (file_unit, '(11a15)') '# EFERMI(eV)', "omega(eV)", 'yzx', 'zxy', 'xyz', 'yzy', 'yzz', 'zxz', 'xyy', 'yzz', 'zxx'
write (file_unit, '(11a15)') '# EFERMI(eV)', "omega(eV)", 'yzx', 'zxy', 'xyz', 'yzy', 'yzz', 'zxz', 'xyy', 'xyx', 'zxx'
endif
else
write (file_unit, '(11a15)') '# EFERMI(eV)', "omega(eV)", 'xx', 'yy', 'zz', 'xy', 'xz', 'yz', 'zy', 'xz', 'yx'
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