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2461 Commits

Author SHA1 Message Date
Atsushi Togo 2b95e1f77b Update phonon3 2013-07-02 09:04:25 +09:00
Atsushi Togo 4300c8ff2d Update phonon3 2013-07-01 22:25:14 +09:00
Atsushi Togo 786097e048 Continue re-implementation of self energy 2013-07-01 17:06:38 +09:00
Atsushi Togo d4e3cc677d Update phonon3 2013-07-01 00:27:24 +09:00
Atsushi Togo 028e3e9ae8 Update phonon3; starting C implementation 2013-06-30 00:47:51 +09:00
Atsushi Togo 588bb4899d Continue re-implementation of self energy 2013-06-28 18:14:42 +09:00
Atsushi Togo ba1aa2da1a Update phonon3 2013-06-27 23:32:08 +09:00
Atsushi Togo 39d3c12434 Start re-implementation of self energy 2013-06-27 18:40:49 +09:00
Atsushi Togo f95d746055 jdos catch up recent update 2013-06-26 15:13:03 +09:00
Atsushi Togo 725b17a6a7 Update manual 2013-06-25 11:32:08 +09:00
Atsushi Togo ca11ccd561 Fix bug for legend 2013-06-24 15:48:31 +09:00
Atsushi Togo 996a569515 Version changes to 1.7.1. --pdos, and --hdf5 options 2013-06-24 15:31:27 +09:00
Atsushi Togo e94b71a411 Update manual for pdos option. 2013-06-24 15:00:15 +09:00
Atsushi Togo f4bb4138ab Comma is used as separater for --gp option 2013-06-23 22:11:44 +09:00
Atsushi Togo 65dd798c83 Accept half mesh shift for kappa calculation 2013-06-23 21:41:53 +09:00
Atsushi Togo 4b415a0977 Under the implementation of coase grid shift 2013-06-21 19:23:54 +09:00
Atsushi Togo fa1cf0125a Change the option name of --ct to --irreps 2013-06-21 18:21:35 +09:00
Atsushi Togo 9104990cb2 Remove character_table.py 2013-06-21 17:30:17 +09:00
Atsushi Togo c2e4f61c30 Update manual. 2013-06-21 17:18:56 +09:00
Atsushi Togo d9ab4f2962 Imaginary part of characters are shown. Class and file names are changed from character_table to irreps. 2013-06-21 17:17:49 +09:00
Atsushi Togo c69f7c0945 Update document 2013-06-20 17:53:55 +09:00
Atsushi Togo 62658dfd76 Add message for group velocity calculation 2013-06-20 17:53:35 +09:00
Atsushi Togo e0f62555bc Update manual. New document for group velocity. 2013-06-20 15:44:39 +09:00
Atsushi Togo a2eba11f28 Update manual. New document for group velocity. 2013-06-20 15:44:20 +09:00
Atsushi Togo 47be0091d6 SnO2 rutile example 2013-06-20 15:43:51 +09:00
Atsushi Togo bebd36077e Displacement matrix implementation update 2013-06-19 18:09:56 +09:00
Atsushi Togo f34919974d Start implementation of thermal displacement matrix 2013-06-19 10:42:55 +09:00
Atsushi Togo 0d71a95716 Implement --ion_clamped option 2013-06-18 17:01:31 +09:00
Atsushi Togo 04ad66ab57 Show error message when non-primitive cell is used 2013-06-18 17:00:25 +09:00
Atsushi Togo ce76b40e3a Include ylim option for band structure type plot 2013-06-18 12:59:49 +09:00
Atsushi Togo edf6ea044f Update documents 2013-06-12 13:15:35 +09:00
Atsushi Togo 692a62d4e3 Fix error message 2013-06-07 20:41:43 +09:00
Atsushi Togo e60891f455 Show the points of k* 2013-06-06 15:09:15 +09:00
Atsushi Togo 5a16df451b Point group operations for star is taken out of the class 2013-06-06 12:58:30 +09:00
Atsushi Togo d1b13c43e0 Write kappa values into file with q-points 2013-06-06 10:46:39 +09:00
Atsushi Togo 5bc3ab678d Write kappa values into file with q-point weights 2013-05-31 13:46:38 +09:00
Atsushi Togo 451897e7ba Projected thermal property option --pt 2013-05-30 22:32:37 +09:00
Atsushi Togo 5392969254 Projected thermal properties 2013-05-30 15:57:36 +09:00
Atsushi Togo 2b2b41ddfa Projected thermal properties 2013-05-30 15:41:48 +09:00
Atsushi Togo 9240bbe6bd Modify following directory names change. 2013-05-30 15:41:15 +09:00
Atsushi Togo 3b6ac5c666 Fundtion of mode heat capacity is taken out from the class 2013-05-28 12:18:41 +09:00
Atsushi Togo f1aa46e4cb Implementation of thermodynamic Gruneisen parameter 2013-05-28 12:17:37 +09:00
Atsushi Togo e8b43e6b9a Use mode heat capacity implemented in thermal_property.py 2013-05-28 12:17:04 +09:00
Atsushi Togo 35d26494b2 fc3 Gruneisen band implementation 2013-05-27 12:42:42 +09:00
Atsushi Togo f0a14583ca fc3 Gruneisen band implementation 2013-05-27 11:31:10 +09:00
Atsushi Togo 2ac5deb114 Band structure for fc3 Gruneisen parameter 2013-05-26 22:14:12 +09:00
Atsushi Togo b8f54141e9 More general translational invarilance for fc2 and fc3 2013-05-26 16:20:53 +09:00
Atsushi Togo 7c1614b2c3 NAC capability for Gruneisen tensor from fc3 2013-05-26 12:34:04 +09:00
Atsushi Togo 9a66fd9fe9 NAC capability for Gruneisen tensor from fc3 2013-05-26 12:14:18 +09:00
Atsushi Togo e4fa2855da A small bug fix 2013-05-24 12:39:20 +09:00