9 Commits

Author	SHA1	Message	Date
Lorenzo Paulatto (naquite)	23ffa0f94d	Courtesy of Prasenjit Ghosh: bugfix of the "additional k-points" mechanism to add zero-weight k-points for SCF calculation of band structure. ... A couple more fixes in plotbands.x to correctly take into account firstk and lastk parameters	2022-02-15 14:10:45 +01:00
Lorenzo Paulatto (naquite)	86363301bb	Additional k-points would not be correctly transformed to 2pi/alat units if specified in ... crystal units	2021-03-24 09:49:26 +01:00
Lorenzo Paulatto (naquite)	84ded95d31	I'll take the occasion to clean up the codea bit	2021-03-23 10:15:32 +01:00
Lorenzo Paulatto (naquite)	139a1797b7	debug lines slipped in final version	2021-03-23 10:14:15 +01:00
Lorenzo Paulatto (naquite)	43d88807e5	update dependency or buildbot fails	2020-10-14 14:48:23 +02:00
Lorenzo Paulatto (naquite)	a9afb3a6b1	bugfix: the code would break when doing a pw calculation with images (manypw neb...)	2020-09-28 14:48:20 +02:00
Lorenzo Paulatto (naquite)	5aae2ef24b	bugfix	2020-09-24 12:12:33 +02:00
Lorenzo Paulatto (naquite)	c8395434a5	Little bugfix of the addition k-points module	2020-09-23 12:47:00 +02:00
Lorenzo Paulatto	3f6d84799b	New code to add a ADDITIONAL_K_POINTS card that reads a list of k-points (automatic nont supported) and adds them with weight zero after the normal k-points. In the case of EXX calculation, more k-points are generated to ensure that all the k+q points are present (this can get very slow quickly)	2020-07-16 16:47:08 +02:00