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author
Adam J. Jackson
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bad name S2 file; kesterite label streamlined
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materials.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -511,7 +511,7 @@ def mu_eV(self,T,P):
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################ Quaternary compounds ###############
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CZTS_kesterite=solid(name='Kesterite CZTS (primitive basis)',
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CZTS_kesterite=solid(name='Kesterite CZTS',
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stoichiometry={'Cu':2,'Zn':1,'Sn':1,'S':4},
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pbesol_energy_eV= -0.353240291658938E+06,
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fu_cell=1,

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