Download material input files for running calculations with almaBTE, using the links 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.
| Simulation | Compound | Number of elements | Compressed files |
|---|---|---|---|
| AgKTe_F4-3m | AgKTe | 3 | AgKTe_F4-3m.tar.xz |
| AgNaTe_F4-3m | AgNaTe | 3 | AgNaTe_F4-3m.tar.xz |
| AgSbBa_F4-3m | AgSbBa | 3 | AgSbBa_F4-3m.tar.xz |
| AlAs | AlAs | 2 | AlAs.tar.xz |
| AlN_cubic | AlN | 2 | AlN_cubic.tar.xz |
| AlN_wurtzite | AlN | 2 | AlN_wurtzite.tar.xz |
| BePNa_F4-3m | BePNa | 3 | BePNa_F4-3m.tar.xz |
| BiKBa_F4-3m | BiKBa | 3 | BiKBa_F4-3m.tar.xz |
| BiNaBa_F4-3m | BiNaBa | 3 | BiNaBa_F4-3m.tar.xz |
| BiSrK_F4-3m | BiSrK | 3 | BiSrK_F4-3m.tar.xz |
| BiSrLi_F4-3m | BiSrLi | 3 | BiSrLi_F4-3m.tar.xz |
| BN | BN | 2 | BN.tar.xz |
| B_Pmmn | B | 1 | B_Pmmn.tar.xz |
| CoAsZr_F4-3m | CoAsZr | 3 | CoAsZr_F4-3m.tar.xz |
| CoHfBi_F4-3m | CoHfBi | 3 | CoHfBi_F4-3m.tar.xz |
| CoSbZr_F4-3m | CoSbZr | 3 | CoSbZr_F4-3m.tar.xz |
| CoScSe_F4-3m | CoScSe | 3 | CoScSe_F4-3m.tar.xz |
| CoSiTa_F4-3m | CoSiTa | 3 | CoSiTa_F4-3m.tar.xz |
| C_diamond | C | 1 | C_diamond.tar.xz |
| C_graphene | C | 1 | C_graphene.tar.xz |
| C_graphite | C | 1 | C_graphite.tar.xz |
| FePNb_F4-3m | FePNb | 3 | FePNb_F4-3m.tar.xz |
| GaAs | GaAs | 2 | GaAs.tar.xz |
| GaN_cubic | GaN | 2 | GaN_cubic.tar.xz |
| GaN_wurtzite | GaN | 2 | GaN_wurtzite.tar.xz |
| GaP | GaP | 2 | GaP.tar.xz |
| GaSb | GaSb | 2 | GaSb.tar.xz |
| Ge | Ge | 1 | Ge.tar.xz |
| GeYNa_F4-3m | GeYNa | 3 | GeYNa_F4-3m.tar.xz |
| GeZnCa_F4-3m | GeZnCa | 3 | GeZnCa_F4-3m.tar.xz |
| InAs | InAs | 2 | InAs.tar.xz |
| InBaSr_F4-3m | InBaSr | 3 | InBaSr_F4-3m.tar.xz |
| InP | InP | 2 | InP.tar.xz |
| InSb | InSb | 2 | InSb.tar.xz |
| InYCd_F4-3m | InYCd | 3 | InYCd_F4-3m.tar.xz |
| IrPTi_F4-3m | IrPTi | 3 | IrPTi_F4-3m.tar.xz |
| NiPbTi_F4-3m | NiPbTi | 3 | NiPbTi_F4-3m.tar.xz |
| NiScSb_F4-3m | NiScSb | 3 | NiScSb_F4-3m.tar.xz |
| NiSnTi_F4-3m | NiSnTi | 3 | NiSnTi_F4-3m.tar.xz |
| NiSnZr_F4-3m | NiSnZr | 3 | NiSnZr_F4-3m.tar.xz |
| OsSbTa_F4-3m | OsSbTa | 3 | OsSbTa_F4-3m.tar.xz |
| PdSbLa_F4-3m | PdSbLa | 3 | PdSbLa_F4-3m.tar.xz |
| PdSrTe_F4-3m | PdSrTe | 3 | PdSrTe_F4-3m.tar.xz |
| PdYAs_F4-3m | PdYAs | 3 | PdYAs_F4-3m.tar.xz |
| PtGaTa_F4-3m | PtGaTa | 3 | PtGaTa_F4-3m.tar.xz |
| PtGeTi_F4-3m | PtGeTi | 3 | PtGeTi_F4-3m.tar.xz |
| PtNbIn_F4-3m | PtNbIn | 3 | PtNbIn_F4-3m.tar.xz |
| RhNbSi_F4-3m | RhNbSi | 3 | RhNbSi_F4-3m.tar.xz |
| RhSbHf_F4-3m | RhSbHf | 3 | RhSbHf_F4-3m.tar.xz |
| RuAsV_F4-3m | RuAsV | 3 | RuAsV_F4-3m.tar.xz |
| SbCaK_F4-3m | SbCaK | 3 | SbCaK_F4-3m.tar.xz |
| Si | Si | 1 | Si.tar.xz |
| SiSrCd_F4-3m | SiSrCd | 3 | SiSrCd_F4-3m.tar.xz |
| SnSe | SnSe | 2 | SnSe.tar.xz |
| SnSrBa_F4-3m | SnSrBa | 3 | SnSrBa_F4-3m.tar.xz |
| Sn_alpha | Sn | 1 | Sn_alpha.tar.xz |
| TeAgLi_F4-3m | TeAgLi | 3 | TeAgLi_F4-3m.tar.xz |
| TlMgLa_F4-3m | TlMgLa | 3 | TlMgLa_F4-3m.tar.xz |