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ttadano
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alamode
Ab initio simulator for thermal transport and lattice anharmonicity
http://sourceforge.net/projects/alamode
MIT License
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Compilation problem
#206
chejunwei2
opened
1 week ago
2
Error with SCPH+BUBBLE
#188
RicardoCecconello
closed
2 months ago
1
How to convert a second-order force constant matrix obtained by almode to FORCE_CONSTANTS in phonopy format
#186
zhangyuwen984
closed
2 months ago
1
Using different supercell size for FC2 and FC3
#181
m-a-saleh
closed
2 months ago
1
ERROR about running the code of displace.py
#180
Guancred
closed
3 months ago
5
Huge difference between Phonopy and Alamode for slab
#176
m-a-saleh
closed
3 months ago
6
Segmentation fault (core dumped) with the new Intel compilers
#175
m-a-saleh
closed
3 months ago
2
Add tutorials
#171
r-masuki
closed
4 months ago
1
Optimized PERIODIC_IMAGE_CONV=1
#170
r-masuki
closed
4 months ago
0
Faster mode transformation in calculating reciprocal-space IFCs.
#169
r-masuki
closed
4 months ago
0
Symmetrization of the Dynamical Matrix for the Thermal Property Calculation
#168
ksauni
closed
2 months ago
4
`np.int` was a deprecated alias
#167
nim-hrkn
closed
4 months ago
1
Anharmonic IFCs
#149
chunweizhu
closed
3 months ago
2
structural optimization based on SCPH and QHA.
#136
r-masuki
closed
1 year ago
0
SPGLIB Root Question
#130
ejmeitz
closed
1 year ago
3
Tested
#125
ttadano
closed
1 year ago
0
element.xu mode is added and displacement is forced to [-0.5,0.5] assuming…
#124
nim-hrkn
opened
1 year ago
0
fatal error: niggli_wrapper.h: No such file or directory
#115
nim-hrkn
closed
1 year ago
2
HDF5 integration
#112
ttadano
opened
1 year ago
0
BTE: iterative solution
#111
ttadano
opened
1 year ago
0
Make supercell internally
#110
ttadano
opened
1 year ago
0
Niggli reduction
#109
ttadano
opened
1 year ago
1
segmentation fault with LAMMPS
#108
marcelclaro
closed
1 year ago
5
force constants in ShengBTE format
#91
ybC007
closed
1 year ago
0
supply arguments which are used as global variables in functions in t…
#87
nim-hrkn
closed
1 year ago
0
accept element xu yu yz for aiida-lammps
#84
nim-hrkn
closed
1 year ago
0
Irreducible representation
#77
ybC007
closed
1 year ago
1
Eigenvector of PbTiO3 cubic phase calculation with LO-TO splitting
#75
Herb022
closed
1 year ago
2
calculate phonon lifetime by analyze_phonons.cpp
#74
ybC007
closed
2 years ago
0
Si_LAMMPS example not working
#73
moritzgubler
closed
2 years ago
1
MPI+OpenMP hybrid parallelization
#72
ybC007
closed
1 year ago
2
ALAMODE aiida implrementation
#62
nim-hrkn
opened
2 years ago
0
Error and warning messages without a new line
#61
nim-hrkn
closed
1 year ago
0
cartesian coordiates in the imput format
#59
nim-hrkn
opened
2 years ago
1
tools/makedisp_qe.py
#58
nim-hrkn
closed
1 year ago
2
Si Tutorial typo
#57
nim-hrkn
closed
2 years ago
1
states length of Dos
#55
bbuenim
closed
2 years ago
1
'std::bad_alloc' Error
#50
abhirup86
closed
1 year ago
11
Features/permutation symmetry
#49
r-masuki
closed
2 years ago
1
ERROR in get_var_dict. MESSAGE: Unacceptable format
#48
tawe141
closed
2 years ago
2
update for transport branch
#46
whzhangg
closed
2 years ago
2
ERROR in findsym_spglib
#45
yxf0125
closed
2 years ago
4
Setting OMP_NUM_THREADS greater than 1 causes SCPH to stop converging for low compiler optimisation levels
#44
jonathanhunt-uoe
closed
2 years ago
1
Missing parameters in tutorial for displace.py
#43
tawe141
closed
2 years ago
1
Displacing specific atoms
#42
tawe141
closed
2 years ago
2
Displace.py error: list assignment index out of range
#39
shamanX86
closed
2 years ago
2
Symmetry in bubble correction
#35
utf
closed
2 years ago
4
Issue creating renormalized HA FCs
#18
fatimah-ma
closed
3 years ago
1
fc in phono3py format
#17
alinelena
closed
2 months ago
2
How to generate displaced configurations for charge style in LAMMPS?
#13
JWCheys
closed
4 years ago
0
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