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Ab-initio phonon calculation for AgBr / P2_1/m (11) / materials id 570301
Description/Abstract:
Ab-initio phonon calculation for AgBr / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
AgBr
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for YSeF / P2_1/m (11) / materials id 696195
Description/Abstract:
Ab-initio phonon calculation for YSeF / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P2_1/m (11)
,
Phonon
, and
YSeF
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Sm(ErSe2)3 / P2_1/m (11) / materials id 13282
Description/Abstract:
Ab-initio phonon calculation for Sm(ErSe2)3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P2_1/m (11)
,
Phonon
, and
Sm(ErSe2)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
27/05/2023
Ab-initio phonon calculation for Sb6O13 / P2_1/m (11) / materials id 684679
Description/Abstract:
Ab-initio phonon calculation for Sb6O13 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P2_1/m (11)
,
Phonon
, and
Sb6O13
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for KCuPdSe5 / P2_1/m (11) / materials id 11114
Description/Abstract:
Ab-initio phonon calculation for KCuPdSe5 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
KCuPdSe5
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LaHO2 / P2_1/m (11) / materials id 626724
Description/Abstract:
Ab-initio phonon calculation for LaHO2 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
LaHO2
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Tl3BSe3 / P2_1/m (11) / materials id 28490
Description/Abstract:
Ab-initio phonon calculation for Tl3BSe3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P2_1/m (11)
,
Phonon
, and
Tl3BSe3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Tb(HO)3 / P2_1/m (11) / materials id 625415
Description/Abstract:
Ab-initio phonon calculation for Tb(HO)3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P2_1/m (11)
,
Phonon
, and
Tb(HO)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CsCu2ICl2 / P2_1/m (11) / materials id 579536
Description/Abstract:
Ab-initio phonon calculation for CsCu2ICl2 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
CsCu2ICl2
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for RbHS / P2_1/m (11) / materials id 696804
Description/Abstract:
Ab-initio phonon calculation for RbHS / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P2_1/m (11)
,
Phonon
, and
RbHS
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na3SiSnBO7 / P2_1/m (11) / materials id 772986
Description/Abstract:
Ab-initio phonon calculation for Na3SiSnBO7 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
Na3SiSnBO7
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for CaAl2O4 / P2_1/m (11) / materials id 558636
Description/Abstract:
Ab-initio phonon calculation for CaAl2O4 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
CaAl2O4
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for TbCO3 / P2_1/m (11) / materials id 755605
Description/Abstract:
Ab-initio phonon calculation for TbCO3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
P2_1/m (11)
,
Phonon
, and
TbCO3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LaBO3 / P2_1/m (11) / materials id 7492
Description/Abstract:
Ab-initio phonon calculation for LaBO3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
LaBO3
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BaSeO3 / P2_1/m (11) / materials id 6989
Description/Abstract:
Ab-initio phonon calculation for BaSeO3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
BaSeO3
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for YHO2 / P2_1/m (11) / materials id 626151
Description/Abstract:
Ab-initio phonon calculation for YHO2 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
P2_1/m (11)
,
Phonon
, and
YHO2
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for LaMoN3 / P2_1/m (11) / materials id 989534
Description/Abstract:
Ab-initio phonon calculation for LaMoN3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
LaMoN3
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na5InS4 / P2_1/m (11) / materials id 29376
Description/Abstract:
Ab-initio phonon calculation for Na5InS4 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Na5InS4
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for KSeO2F / P2_1/m (11) / materials id 9205
Description/Abstract:
Ab-initio phonon calculation for KSeO2F / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
KSeO2F
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2Hg2SCl4O3 / P2_1/m (11) / materials id 559061
Description/Abstract:
Ab-initio phonon calculation for K2Hg2SCl4O3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
K2Hg2SCl4O3
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for K2HBrO / P2_1/m (11) / materials id 24589
Description/Abstract:
Ab-initio phonon calculation for K2HBrO / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
K2HBrO
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Cu2As4S3Cl2 / P2_1/m (11) / materials id 560845
Description/Abstract:
Ab-initio phonon calculation for Cu2As4S3Cl2 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Cu2As4S3Cl2
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba3(Si2P3)2 / P2_1/m (11) / materials id 27887
Description/Abstract:
Ab-initio phonon calculation for Ba3(Si2P3)2 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and ...
Keyword:
Ba3(Si2P3)2
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for La(ErS2)3 / P2_1/m (11) / materials id 973441
Description/Abstract:
Ab-initio phonon calculation for La(ErS2)3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
La(ErS2)3
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na3CaPCO7 / P2_1/m (11) / materials id 767552
Description/Abstract:
Ab-initio phonon calculation for Na3CaPCO7 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Na3CaPCO7
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Ba2SiTe4 / P2_1/m (11) / materials id 14448
Description/Abstract:
Ab-initio phonon calculation for Ba2SiTe4 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Ba2SiTe4
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NaMgH4SO6F / P2_1/m (11) / materials id 766031
Description/Abstract:
Ab-initio phonon calculation for NaMgH4SO6F / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
NaMgH4SO6F
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for NaLaMgTeO6 / P2_1/m (11) / materials id 9239
Description/Abstract:
Ab-initio phonon calculation for NaLaMgTeO6 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
NaLaMgTeO6
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Y2Si2O7 / P2_1/m (11) / materials id 561531
Description/Abstract:
Ab-initio phonon calculation for Y2Si2O7 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P2_1/m (11)
,
Phonon
, and
Y2Si2O7
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for AgBi2S3Cl / P2_1/m (11) / materials id 558368
Description/Abstract:
Ab-initio phonon calculation for AgBi2S3Cl / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
AgBi2S3Cl
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for Na3CdPCO7 / P2_1/m (11) / materials id 767430
Description/Abstract:
Ab-initio phonon calculation for Na3CdPCO7 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Na3CdPCO7
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BaN6 / P2_1/m (11) / materials id 1707
Description/Abstract:
Ab-initio phonon calculation for BaN6 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
BaN6
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Pb3SO6 / P2_1/m (11) / materials id 22023
Description/Abstract:
Ab-initio phonon calculation for Pb3SO6 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P2_1/m (11)
,
Pb3SO6
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Pr(HO)3 / P2_1/m (11) / materials id 626361
Description/Abstract:
Ab-initio phonon calculation for Pr(HO)3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
P2_1/m (11)
,
Phonon
, and
Pr(HO)3
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for LuTa3O9 / P2_1/m (11) / materials id 756704
Description/Abstract:
Ab-initio phonon calculation for LuTa3O9 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
LuTa3O9
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for K3Sm(PO4)2 / P2_1/m (11) / materials id 18019
Description/Abstract:
Ab-initio phonon calculation for K3Sm(PO4)2 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
K3Sm(PO4)2
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for PbSeO3 / P2_1/m (11) / materials id 20716
Description/Abstract:
Ab-initio phonon calculation for PbSeO3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
P2_1/m (11)
,
PbSeO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for ErTa3O9 / P2_1/m (11) / materials id 756598
Description/Abstract:
Ab-initio phonon calculation for ErTa3O9 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
ErTa3O9
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for K2PAuS4 / P2_1/m (11) / materials id 9509
Description/Abstract:
Ab-initio phonon calculation for K2PAuS4 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
K2PAuS4
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Na3SrPCO7 / P2_1/m (11) / materials id 767431
Description/Abstract:
Ab-initio phonon calculation for Na3SrPCO7 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Na3SrPCO7
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for HfS3 / P2_1/m (11) / materials id 9922
Description/Abstract:
Ab-initio phonon calculation for HfS3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
HfS3
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for CdBiClO2 / P2_1/m (11) / materials id 550553
Description/Abstract:
Ab-initio phonon calculation for CdBiClO2 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
CdBiClO2
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Li4H3ClO3 / P2_1/m (11) / materials id 643259
Description/Abstract:
Ab-initio phonon calculation for Li4H3ClO3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
Li4H3ClO3
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Li3TeHO4 / P2_1/m (11) / materials id 696949
Description/Abstract:
Ab-initio phonon calculation for Li3TeHO4 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and pho...
Keyword:
Li3TeHO4
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for CsLi2(HO)3 / P2_1/m (11) / materials id 697181
Description/Abstract:
Ab-initio phonon calculation for CsLi2(HO)3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
CsLi2(HO)3
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Cs3LiI4 / P2_1/m (11) / materials id 569238
Description/Abstract:
Ab-initio phonon calculation for Cs3LiI4 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phon...
Keyword:
Cs3LiI4
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for BiPO4 / P2_1/m (11) / materials id 558798
Description/Abstract:
Ab-initio phonon calculation for BiPO4 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
BiPO4
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for Sr4Bi6Se13 / P2_1/m (11) / materials id 28397
Description/Abstract:
Ab-initio phonon calculation for Sr4Bi6Se13 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and p...
Keyword:
P2_1/m (11)
,
Phonon
, and
Sr4Bi6Se13
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for KClO3 / P2_1/m (11) / materials id 23022
Description/Abstract:
Ab-initio phonon calculation for KClO3 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
KClO3
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
Ab-initio phonon calculation for ErHO2 / P2_1/m (11) / materials id 504801
Description/Abstract:
Ab-initio phonon calculation for ErHO2 / P2_1/m (11) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon...
Keyword:
ErHO2
,
P2_1/m (11)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
25/05/2023
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Keywords
»
Publisher
NIMS
206
Resource type
Dataset
206
Visibility
open
206
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
206
Data origin
simulation
206
Author
Atsushi Togo
206
Funder
MEXT
206
Software
VASP
206
phonopy
206
spglib
206