Commit Graph

532 Commits

Author SHA1 Message Date
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