Atsushi Togo
c24b6b6ace
Writing more general interfaces for calculator
2016-02-03 09:34:27 +09:00
Atsushi Togo
26b444e6e1
More optionParser variables are read in setting.py.
2016-02-02 16:18:18 +09:00
Atsushi Togo
f1123c0570
Change user interface related code for addition of other calculators in phono3py
2016-02-02 00:57:52 +09:00
Atsushi Togo
e628297822
Show spglib version
2016-01-25 11:33:47 +09:00
Atsushi Togo
971ce53309
Unify version numbers of phonopy and phono3py
2016-01-25 00:01:07 +09:00
Atsushi Togo
b1e550e548
Take out get_force_sets from create_FORCE_SETS and suspend --fz option
2016-01-14 09:58:42 +09:00
Atsushi Togo
be9a06049f
Minor fix of print output
2016-01-12 08:25:21 +09:00
Atsushi Togo
de12d441ae
Set phono3py version synchronize to phonopy except for major version number.
2015-12-30 11:58:47 +09:00
Atsushi Togo
d8a3cf9726
Separate branches for phono4py and force-fit and remove the related files in the main branches
2015-12-01 10:53:02 +09:00
Atsushi Togo
593a4f2d73
Made QHA-API more friendly, and made thermal_properties.yaml parser return imaginary mode ratio
2015-11-23 23:01:40 +09:00
Atsushi Togo
20fe2120d1
Refactoring of QHA
2015-11-19 22:22:28 +09:00
Atsushi Togo
2811befdb5
Parts of phono3py script are moved to each methods in files.
2015-11-01 12:45:43 +09:00
Atsushi Togo
d672432cc8
Parts of phono3py script are moved to each methods in files.
2015-11-01 12:45:43 +09:00
Atsushi Togo
1c979ec3fb
Since file became small, the contents are returned to phono3py script.
2015-11-01 12:45:43 +09:00
Atsushi Togo
0cd7541e30
phono3py script is divided into pieces
2015-11-01 12:45:42 +09:00
Atsushi Togo
369b337ab1
Phonopy for Python3
2015-10-20 15:01:52 +09:00
Atsushi Togo
7ace4e5fa5
Replace print ... to print(...)
2015-10-19 18:43:46 +09:00
Atsushi Togo
be2a9b57b6
Pass cutoff frequency to GruneisenThermalProperties
2015-10-14 23:02:36 +09:00
Atsushi Togo
e8fb956289
Method name is changed from set_thermal_properties to run.
2015-10-14 22:20:24 +09:00
Henrique Miranda
de735912ba
Added a siesta interface
...
Implemented a siesta interface. It uses regular expressions to read the
siesta .fdf input file. Also added documentation and two working
examples: Silicon and Graphene
2015-10-13 19:08:33 +02:00
Atsushi Togo
44e475a202
Error message is shown unless --gp or --ga option with --lw or --ise.
2015-10-10 11:05:07 +09:00
Atsushi Togo
521dc3946c
Set phono3py version as 0.9.14
2015-10-10 10:23:40 +09:00
Atsushi Togo
4a8d301363
An option --stp to show number of triplets to be calculated at each grid point is made.
2015-10-07 11:56:37 +09:00
Atsushi Togo
787c310f82
--nowritemesh option (WRITE_MESH tag) is implemented.
2015-10-02 14:25:24 +09:00
Atsushi Togo
2ac4608652
--is_gamma_center is implemented in grunsein script.
2015-09-26 23:21:32 +09:00
Atsushi Togo
5287118810
Update and fix of detailed imag-part of self energy output, and document update, version 0.9.13
2015-09-26 21:44:56 +09:00
Atsushi Togo
fe80773a38
POSCAR.yaml interface
2015-09-21 19:45:46 +09:00
Atsushi Togo
1dc9400d2d
Minor fix of gruneisen thermal property interface
2015-09-18 00:02:54 +09:00
Atsushi Togo
6659fd8dbf
Set default BZ integration as tetrahedron method
2015-09-17 11:46:54 +02:00
Atsushi Togo
22c6919513
Detailed imag-part of self energy is output with --write_detailed_gamma option.
2015-09-17 15:57:34 +09:00
Atsushi Togo
625861e73a
Default behaviour is changed to use integration weights for smearing method in the calculation of imaginary part of self energy for conductivity RTA.
2015-09-17 02:09:18 +09:00
Atsushi Togo
a7f4a1eadd
Default behaviour is changed to use integration weights for smearing method in the calculation of imaginary part of self energy.
2015-09-17 01:40:04 +09:00
Atsushi Togo
1f1efeaeba
Treatment of undefined atomic masses
2015-09-01 17:18:52 +09:00
Atsushi Togo
6fc98dedc3
Phonopy YAML mode is created. This mode is currently just to replace VASP mode crystal structure reading by phonopy YAML crystal structure reading.
2015-08-30 11:27:40 +09:00
Atsushi Togo
751d00b864
Set version 1.9.6.1 for phonopy and 0.9.12.1 for phono3py
2015-08-18 17:53:47 +09:00
Atsushi Togo
2c9713ea1c
Use dense expression of numpy to enhance the calculation speed in tetrahedron method
2015-08-11 19:07:45 +09:00
Atsushi Togo
9bec88a4c7
Set versions of phonopy 1.9.6 and phono3py 0.9.12
2015-08-11 15:03:27 +09:00
Atsushi Togo
32bdf035ab
Lapack(e) solver option
2015-08-06 15:08:09 +09:00
Atsushi Togo
adbb2a4c90
Elk support
2015-06-26 14:42:57 +09:00
Atsushi Togo
122c419cc0
Phono3py version 0.9.10.1
2015-06-18 23:59:58 +09:00
Atsushi Togo
ba931cb74b
Bug fix, ir-grid weights and normalization
2015-06-18 23:59:43 +09:00
Atsushi Togo
5795366ab3
Minor update
2015-06-18 23:59:03 +09:00
Atsushi Togo
246760ef41
phono3py version 0.9.10
2015-06-17 23:43:00 +09:00
Atsushi Togo
d4492fabaf
gaccum is similar to kaccum, but for Gamma(omega_lambda)
2015-06-17 10:44:22 +09:00
Atsushi Togo
5d492eecee
Bug fixed when using --pa option
2015-06-17 10:43:48 +09:00
Atsushi Togo
69a96d2d97
Energy shift option is added
2015-05-08 16:15:34 +09:00
Atsushi Togo
ccd1c48d14
Thermal properites calculation with Gruneisen parameter at different volumes
2015-05-02 14:05:54 +09:00
Atsushi Togo
aa203afd1d
Set phono3py version 0.9.9.2
2015-04-30 00:06:50 +09:00
Atsushi Togo
83f8a0ddf4
Fix helmholtz-volume.pdf plot bug
2015-04-30 00:05:33 +09:00
Atsushi Togo
409f1ded63
Improve hdf5 support for mesh sampling
2015-04-24 11:08:31 +03:00
Atsushi Togo
d483a2ef9d
hdf5 force-constants input support for Gruneisen
2015-04-23 15:38:50 +03:00
Atsushi Togo
0ce6d6fb26
hdf5 output support for Gruneisen mesh sampling
2015-04-23 00:43:39 +03:00
Atsushi Togo
e9d6da6496
Fix inability of an option
2015-04-15 10:30:01 +01:00
Atsushi Togo
7a62d4a887
Version 0.9.9.1
2015-04-05 00:33:08 +09:00
Atsushi Togo
7f444f429d
Fix kaccum by following recent modification of TetrahedronMesh
2015-04-05 00:30:33 +09:00
Atsushi Togo
4982389196
Update setup files
2015-04-04 00:44:27 +09:00
Atsushi Togo
98287403e2
Dos min and max options
2015-03-18 09:37:25 +09:00
Atsushi Togo
0dd6da840e
Change MSPP to averaged ph-ph interaction (Pqj)
2015-02-20 17:56:35 +09:00
Atsushi Togo
9429bb9464
Create options for unit conversion factors of gamma and ph-ph interactin strength
2015-02-19 18:37:28 +09:00
Atsushi Togo
0ee8a0e4b0
Unit of ph-ph interaction strength is defined as eV and so the square is eV^2
2015-02-16 18:44:14 +09:00
Atsushi Togo
153cdf23da
Constant ph-ph interaction strength option for Peierls approximation
2015-02-15 23:53:58 +09:00
Atsushi Togo
464ca6f5e2
Symmetry handling is improved for collinear magnetic momemnts cases
2015-02-10 15:40:02 +09:00
Atsushi Togo
838504e2b1
Improve frequency shift by fc3
2015-02-03 18:24:36 +01:00
Atsushi Togo
1fe149709d
Non X-forwarding support for saving pictures
2015-02-02 11:27:39 +01:00
Atsushi Togo
a41a92a318
Minor update for fc4 freq-shift
2015-01-28 18:58:53 +09:00
Atsushi Togo
8b3ed9667c
Adapting for FORCES_FC$
2015-01-23 14:34:48 +09:00
Atsushi Togo
ebde17ae01
Implement write_FORCES_FC4
2015-01-23 13:18:27 +09:00
Atsushi Togo
f353c57524
Rewritten creating and writing disp_fc4.yaml
2015-01-23 00:23:14 +09:00
Atsushi Togo
ba95ec9bfc
Minor changes
2015-01-23 00:22:24 +09:00
Atsushi Togo
fe12f1b83d
Improving user interface
2015-01-22 17:25:17 +09:00
Atsushi Togo
46950a9891
overwrite option for distribute_fc3
2015-01-22 17:24:14 +09:00
Atsushi Togo
f0884a08fb
Cleaning phono4py code
2015-01-21 17:32:41 +09:00
Atsushi Togo
52f87342a5
Cleaning phono4py code
2015-01-20 17:05:59 +09:00
Atsushi Togo
fd1cf13bfb
Fix fc2 permutation symmetry option invoking in the case without extra supercell
2015-01-20 16:23:25 +09:00
Atsushi Togo
03fcba8dbf
Minor fix
2015-01-18 00:25:02 +09:00
Atsushi Togo
6aeff645ec
Merge branch 'experiment' of github.com:atztogo/phonopy into experiment
2015-01-17 18:08:46 +09:00
Atsushi Togo
54aab5053f
Fix phono4py script to follow recent methods in fc2 and fc3
2015-01-17 18:08:21 +09:00
Atsushi Togo
cdc9318da9
Fix --freq_scale option and add --mass option
2015-01-15 12:56:04 +09:00
Atsushi Togo
1fdeee5dcf
Version 0.9.7
2015-01-13 13:02:22 +09:00
Atsushi Togo
c044d2d45d
MSPP functionality is moved from interaction.py to imag_self_energy.py and now set it be called from conductivity_RTA.py
2015-01-09 16:59:24 +09:00
Atsushi Togo
a9925cbf7a
Set version as 0.9.6
2015-01-07 17:41:52 +09:00
Atsushi Togo
05539e29d8
Add kaccum script
2015-01-07 17:25:19 +09:00
Atsushi Togo
7ea03e012e
Set version number 0.9.5
2015-01-06 15:31:59 +09:00
Atsushi Togo
f180cf9484
Minor fixes
2014-12-27 17:30:00 +09:00
Atsushi Togo
48992c1640
Changed matplotlib.pyplot to be called in phonopy API (__init__.py) and the plot methods for each mode are renamed to plot
2014-12-27 11:07:56 +09:00
Atsushi Togo
dac8e756a2
--dos option to read (p)dos to plot togather
2014-12-27 11:07:27 +09:00
Atsushi Togo
482569ee5f
Plot band and mesh simultaneously
2014-12-26 17:45:54 +09:00
Atsushi Togo
7b8563cc71
segment_scales option is implemented.
2014-12-15 19:16:55 +09:00
Atsushi Togo
c0f80fb907
--band_labels option is implemented.
2014-12-14 23:47:24 +09:00
Atsushi Togo
674b83eac7
--bmfp option name of abbreviation of --boundary_mfp
2014-12-05 10:37:59 +09:00
Atsushi Togo
54250be6f8
Set version 0.9.4
2014-12-04 18:31:52 +09:00
Atsushi Togo
2e9aa71532
Change the name cutoff_mfp to boundary_mfp
2014-12-04 18:31:27 +09:00
Atsushi Togo
ec7deede34
Set version as 0.9.3
2014-11-29 15:07:16 +09:00
Atsushi Togo
f0604dbc09
Abinit, Pwscf, Wien2k support and --factor option support
2014-11-25 15:22:54 +09:00
Atsushi Togo
e8d1d89437
Arrange locations of methods in file_IO and interface
2014-11-25 12:18:41 +09:00
Atsushi Togo
ca7b168511
Create nomeshsym option for gruneisen script
2014-11-25 08:54:20 +09:00
Atsushi Togo
89ef741e3f
Make a function to read crystal structure and move this to file_IO.py
2014-11-24 20:53:54 +09:00
Atsushi Togo
fb664b914e
User interface is largely modified to accept various force calculators.
2014-10-31 12:38:13 +09:00
Atsushi Togo
1dccc460f1
Pwscf support
2014-10-30 20:33:25 +09:00
Atsushi Togo
5dfc2b0124
Pwscf support
2014-10-30 18:22:07 +09:00
Atsushi Togo
86c96c90e9
Abinit support
2014-10-29 17:18:56 +09:00
Atsushi Togo
5c87c30fbf
Merge branch 'master' of github.com:shanghui/phonopy into fhi-aims
2014-10-26 11:14:45 +09:00
Honghui Shang
e90b91efc5
(1) adding support for FHI-aims modulation output, modulation setting in control.in
...
(2) adding write_eigenfrequencies_and_eigenvectors_at_gamma (both non-nac and nac)
(3) examples (Si, NaCl) for the above two are added to example/FHI-aims
2014-10-24 12:02:38 +02:00
Atsushi Togo
f3844ed8ba
Remove a with statement
2014-10-21 11:39:20 +09:00
Atsushi Togo
3edebfd7a2
Refactoring where == is replaced by is for None
2014-10-17 14:03:53 +09:00
Atsushi Togo
ded1457b22
pinv_cutoff option was created
2014-10-14 15:36:18 +09:00
Atsushi Togo
d675a4a3da
Create FORCES_FC3 from a file containing a list of filenames
2014-10-02 00:01:59 +09:00
Atsushi Togo
08083775c8
Set version as 0.9.1
2014-10-01 14:38:11 +09:00
Atsushi Togo
32b5cc0d59
An option to transform FORCE_SETS to FORCES_FC2 is created.
2014-10-01 14:27:53 +09:00
Atsushi Togo
0d9fd1f91c
Minor fix
2014-09-21 17:17:58 +09:00
Atsushi Togo
18eaa95f80
Minor modification
2014-09-16 16:12:52 +09:00
Atsushi Togo
feabed0cda
When number of displacements for 1st atom is greater than 1, it didn't work. Fixed.
2014-09-04 15:13:30 +09:00
Atsushi Togo
825c13cb86
Create Peierls model option in phono3py script
2014-09-02 16:16:58 +09:00
Atsushi Togo
9b31b58f1c
JDOS with phonon occupation numbers
2014-08-19 16:22:47 +09:00
Atsushi Togo
91cbfb6908
Output to pdf without X environment
2014-08-18 22:32:30 +09:00
Atsushi Togo
92870086c1
Fix user interface problem
2014-08-18 17:27:16 +09:00
Atsushi Togo
07a999f7de
Cleaning
2014-08-12 12:54:30 +09:00
Atsushi Togo
218d99bb9f
Symmetry tolerance in gruneisen
2014-08-08 20:48:24 +09:00
Atsushi Togo
1bf1d8d18b
Symmetry tolerance in outcar-born
2014-08-08 20:30:58 +09:00
Atsushi Togo
b475a26702
Let parse_BORN receive symmetry tolerance
2014-08-07 23:02:31 +09:00
Atsushi Togo
d09408c4f7
Option to extract scattering event class of imaginary part of self energy in spectrum plot
2014-07-31 17:50:06 +09:00
Atsushi Togo
8871054d86
Fix minor bug
2014-07-30 16:41:47 +09:00
Atsushi Togo
59c45bf19f
Merge patch-2 from KL
2014-07-23 10:50:28 +09:00
Atsushi Togo
d25de0352f
Implement option to switch fc fitting algorithms
2014-07-20 16:10:06 +09:00
Atsushi Togo
ee56d3476f
Version number update
2014-07-18 15:53:25 +09:00
Atsushi Togo
2258a2bb1b
Minor change of output
2014-07-14 11:48:28 +09:00
Atsushi Togo
5a0e840511
Minor change of output
2014-07-12 13:16:22 +09:00
Atsushi Togo
dc72c95d91
Improve display output
2014-07-08 17:44:26 +09:00
Atsushi Togo
9a25df971f
Tiny change
2014-07-08 00:40:14 +09:00
Atsushi Togo
d6d538ce12
Number of frequency sampling points can be specified for spectrum calculation.
2014-07-08 00:36:08 +09:00
Atsushi Togo
897d775b5b
Command option choosing grid point by grid address
2014-07-07 18:20:23 +09:00
Atsushi Togo
c4cb6479a3
Creating interface to translate grid address to grid point index
2014-07-07 01:09:47 +09:00
Atsushi Togo
c207b03a39
Fix joint dos bug
2014-06-27 12:59:00 +09:00
Atsushi Togo
44f3efc0ce
Improve outcar-born and output of tensors
2014-06-23 18:14:23 +09:00
Atsushi Togo
9ce31451ca
Minor changes of command options and fixes of ofrce fits
2014-06-16 17:39:15 +09:00
Atsushi Togo
a396f294fe
Minor changes of command options
2014-06-16 11:57:48 +09:00
Atsushi Togo
270d161457
Minor renames of options and configure setting handlings
2014-06-16 00:21:57 +09:00
Atsushi Togo
c6876e3235
New option of tsym_type for testing
2014-06-16 00:01:52 +09:00
Atsushi Togo
d8d7808169
Minor changes of output
2014-06-10 18:27:51 +09:00
Atsushi Togo
3b0525bdb1
Replace lifetime cutoff by maximum free path
2014-06-10 18:23:30 +09:00
Atsushi Togo
872b180d27
force-fit maintainance
2014-06-07 21:24:47 +09:00
Atsushi Togo
0551e934ae
Minor update of output
2014-06-06 14:34:17 +09:00
Atsushi Togo
6c5e0a7740
Set version as 0.8.10
2014-05-31 11:51:01 +09:00
Atsushi Togo
239b1a3b26
Insert consistency check of supercell and forces or force constants
2014-05-29 17:56:48 +09:00
Atsushi Togo
81561517b9
Minor modification of non-publich script
2014-05-27 17:09:24 +09:00
Atsushi Togo
cf632c8f7f
Minor fix
2014-05-25 00:10:55 +09:00
Atsushi Togo
0a538a93a5
Mass variance parameters from database
2014-05-24 17:39:47 +09:00
Atsushi Togo
59709f462f
Merge branch 'experiment' of github.com:atztogo/phonopy into experiment
2014-05-22 11:34:55 +09:00
Atsushi Togo
f9ce1a21d5
Fix import problem
2014-05-22 11:23:38 +09:00
Atsushi Togo
e19259a9be
Minor fix of comment of the option
2014-05-20 21:17:29 +09:00
Atsushi Togo
ab3b9bc01e
Expansion of ir-collision matrix to full matrix to solve scalar type collision matrix
2014-05-18 23:12:57 +09:00
Atsushi Togo
1ebd760cf3
Minor change
2014-05-16 11:27:00 +09:00
Atsushi Togo
55476cfaf2
Written file-IO for LBTE collision
2014-05-04 12:36:13 +09:00
Atsushi Togo
52f8a9ed0f
Under the implementation of collision matrix and LBTE conductivity
2014-04-17 18:04:04 +09:00
Atsushi Togo
9f49110a62
Under the implementation of collision matrix and LBTE conductivity and version number change to 0.8.9
2014-04-16 13:36:21 +09:00
Atsushi Togo
f77685edc2
nac_q_direction is implemented in irreps
2014-04-12 12:33:13 +09:00
Atsushi Togo
b215cc8ae9
Graph save without X
2014-04-12 09:34:05 +09:00
Atsushi Togo
ae33873307
Replace phase factor in equivalent and short form and the keyword was changed to activate to show little co-group
2014-04-05 16:30:24 +09:00
Atsushi Togo
14592ef196
Fix phase factor for nonzero q vector and implement an option to show little grouop
2014-04-04 17:29:45 +09:00
Atsushi Togo
e754733320
Set version number as 0.8.3
2014-03-10 17:20:35 +01:00
Atsushi Togo
709c8b5cb4
Minor fixes and minor version update
2014-03-01 12:04:06 +09:00
Atsushi Togo
093ce36416
Minor change of statement
2014-02-23 22:36:16 +09:00
Atsushi Togo
f4fc2c78ed
Phonon supercell handling improved
2014-02-23 22:22:43 +09:00
Atsushi Togo
665578e1ca
Handle -d --dim2
2014-02-23 00:37:48 +09:00
Atsushi Togo
d81d0fb2f0
Gruneisen fix to follow recent changes of phonopy python interface
2014-02-19 11:39:05 +09:00
Atsushi Togo
df16560322
Create option to create FORCE_SETS from disp_fc3.yaml
2014-02-16 18:01:02 +09:00
Atsushi Togo
dcce5fe198
write_FORCE_SETS is modified to recieve displacement_dataset
2014-02-16 17:54:48 +09:00
Atsushi Togo
6d7d26fe86
Minor fix
2014-02-16 17:52:34 +09:00
Atsushi Togo
d295be631e
Minor cleaning
2014-02-16 04:48:21 +09:00
Atsushi Togo
abbeb4c1bb
Minor fix to exit phono3py when only creating fc3.hdf5
2014-02-13 17:41:00 +09:00
Atsushi Togo
92c04f2aee
Tetrahedron method for isotope scattering in Python
2014-02-11 15:26:25 +09:00
Atsushi Togo
fe00a71386
Qpoints mode interface update to obtain frequencies
2014-02-06 18:39:57 +09:00
Atsushi Togo
d070cc5535
q-point modes are re-written using class
2014-02-05 18:28:21 +09:00
Atsushi Togo
24234c4332
Minor update
2014-02-05 18:27:55 +09:00
Atsushi Togo
7507969c05
Minor changes
2014-02-03 18:16:59 +09:00
Atsushi Togo
95791c9969
Update phonon, phono3py python interfaces
2014-02-03 00:04:37 +09:00
Atsushi Togo
678e257356
Minor update
2014-02-02 00:29:00 +09:00
Atsushi Togo
98c9471919
Separate writing supercell POSCARs and disp_fc3.yaml
2014-01-31 18:40:19 +09:00
Atsushi Togo
ef4b911669
Band selective thermal properties
2014-01-31 15:47:17 +09:00
Atsushi Togo
1279fec50a
Following the change of Phonopy class
2014-01-31 11:34:53 +09:00
Atsushi Togo
3a15d85971
Phonopy python module interface update
2014-01-31 01:03:53 +09:00
Atsushi Togo
15bbdef448
A small fix
2014-01-30 15:57:45 +09:00
Atsushi Togo
ccfa881e43
Phono3py has become modular to be handled from __init__.py.
2014-01-30 14:26:15 +09:00
Atsushi Togo
3a5fe14e86
Change Phonopy interfaces for creating dynamical matrix.
2014-01-30 11:50:03 +09:00
Atsushi Togo
5b6157267d
Fix isotope interface in phono3py.
2014-01-29 18:55:19 +09:00
Atsushi Togo
3501d31335
Phono3py is going to be modular to be handled from __init__.py.
2014-01-29 18:35:23 +09:00
Atsushi Togo
4dcab61b31
Phono3py is going to be modular to be handled from __init__.py.
2014-01-29 18:19:24 +09:00
Atsushi Togo
4da57f778b
Phono3py is going to be modular to be handled from __init__.py.
2014-01-29 16:45:11 +09:00
Atsushi Togo
6754f692f1
Phono3py is going to be modular to be handled from __init__.py.
2014-01-28 23:46:02 +09:00
Atsushi Togo
ded5b75b14
Phono3py is going to be modular to be handled from __init__.py.
2014-01-27 23:57:46 +09:00
Atsushi Togo
a0effb75ef
Phono3py is going to be modular to be handled from __init__.py.
2014-01-27 19:21:31 +09:00
Atsushi Togo
cf2a5d594b
Phonon module is being renovated. set_post_process is obsolete.
2014-01-27 15:46:34 +09:00
Atsushi Togo
e587143ae0
Careful copy of numpy array; np.array(oldarray).copy() seems not safe for array with .T (transpose). So instead of .copy(), more explicit way is used: np.array(oldarray, dtype='some', order='C')
2014-01-26 00:22:43 +09:00
Atsushi Togo
2e7bb4f2cf
Improve Phono3py interface
2014-01-25 00:51:35 +09:00
Atsushi Togo
a40029837c
Minor change
2014-01-24 18:05:21 +09:00
Atsushi Togo
a7e2cb728b
Polishing Phono3py class
2014-01-24 13:06:35 +09:00
Atsushi Togo
1ec7a1322a
Polishing Phono3py class
2014-01-23 18:27:17 +09:00
Atsushi Togo
af07915b60
Tetrahedron method for imag-self energy and adapt it for conductivity
2014-01-19 00:23:10 +09:00
Atsushi Togo
3c824718f9
Tetrahedron method for imag-self energy implementing
2014-01-17 16:17:00 +09:00
Atsushi Togo
f4740ab69d
Code cleaning
2014-01-16 16:53:55 +09:00