Database

Search and download material input files for running calculations with almaBTE, using the form below.

When preparing a BORN file for use with ALMA, please keep in mind that the format is slightly different from that of Phonopy. While Phonopy expects a Born charge tensor for each nonequivalent atom in the structure, ALMA will try to read a Born charge tensor for each atom in the unit cell. Make sure that your BORN files have the right number of lines. You can employ this python script to translate BORN files between the almaBTE and phonopy formats.

 

compoundnumber_elementselement_1element_2element_3
simulationcompoundnumber_elementszip_file
AgKTe_F4-3mAgKTe3AgKTe_F4-3m.zip
AgNaTe_F4-3mAgNaTe3AgNaTe_F4-3m.zip
AgSbBa_F4-3mAgSbBa3AgSbBa_F4-3m.zip
AlAsAlAs2AlAs.zip
AlN_cubicAlN2AlN_cubic.zip
AlN_wurtziteAlN2AlN_wurtzite.zip
BePNa_F4-3mBePNa3BePNa_F4-3m.zip
BiKBa_F4-3mBiKBa3BiKBa_F4-3m.zip
BiNaBa_F4-3mBiNaBa3BiNaBa_F4-3m.zip
BiSrK_F4-3mBiSrK3BiSrK_F4-3m.zip
BiSrLi_F4-3mBiSrLi3BiSrLi_F4-3m.zip
BNBN2BN.zip
B_PmmnB1B_Pmmn.zip
CoAsZr_F4-3mCoAsZr3CoAsZr_F4-3m.zip
CoHfBi_F4-3mCoHfBi3CoHfBi_F4-3m.zip
CoSbZr_F4-3mCoSbZr3CoSbZr_F4-3m.zip
CoScSe_F4-3mCoScSe3CoScSe_F4-3m.zip
CoSiTa_F4-3mCoSiTa3CoSiTa_F4-3m.zip
C_diamondC1C_diamond.zip
C_grapheneC1C_graphene.zip
C_graphiteC1C_graphite.zip
FePNb_F4-3mFePNb3FePNb_F4-3m.zip
GaAsGaAs2GaAs.zip
GaN_cubicGaN2GaN_cubic.zip
GaN_wurtziteGaN2GaN_wurtzite.zip
GaPGaP2GaP.zip
GaSbGaSb2GaSb
GeGe1Ge.zip
GeYNa_F4-3mGeYNa3GeYNa_F4-3m.zip
GeZnCa_F4-3mGeZnCa3GeZnCa_F4-3m.zip
InAsInAs2InAs.zip
InBaSr_F4-3mInBaSr3InBaSr_F4-3m.zip
InPInP2InP.zip
InSbInSb2InSb.zip
InYCd_F4-3mInYCd3InYCd_F4-3m.zip
IrPTi_F4-3mIrPTi3IrPTi_F4-3m.zip
NiPbTi_F4-3mNiPbTi3NiPbTi_F4-3m.zip
NiScSb_F4-3mNiScSb3NiScSb_F4-3m.zip
NiSnTi_F4-3mNiSnTi3NiSnTi_F4-3m.zip
NiSnZr_F4-3mNiSnZr3NiSnZr_F4-3m.zip
OsSbTa_F4-3mOsSbTa3OsSbTa_F4-3m.zip
PdSbLa_F4-3mPdSbLa3PdSbLa_F4-3m.zip
PdSrTe_F4-3mPdSrTe3PdSrTe_F4-3m.zip
PdYAs_F4-3mPdYAs3PdYAs_F4-3m.zip
PtGaTa_F4-3mPtGaTa3PtGaTa_F4-3m.zip
PtGeTi_F4-3mPtGeTi3PtGeTi_F4-3m.zip
PtNbIn_F4-3mPtNbIn3PtNbIn_F4-3m.zip
RhNbSi_F4-3mRhNbSi3RhNbSi_F4-3m.zip
RhSbHf_F4-3mRhSbHf3RhSbHf_F4-3m.zip
RuAsV_F4-3mRuAsV3RuAsV_F4-3m.zip
SbCaK_F4-3mSbCaK3SbCaK_F4-3m.zip
SiSi1Si.zip
SiSrCd_F4-3mSiSrCd3SiSrCd_F4-3m.zip
SnSeSnSe2SnSe.zip
SnSrBa_F4-3mSnSrBa3SnSrBa_F4-3m.zip
Sn_alphaSn1Sn_alpha.zip
TeAgLi_F4-3mTeAgLi3TeAgLi_F4-3m
TlMgLa_F4-3mTlMgLa3TlMgLa_F4-3m.zip