8 Commits

Author	SHA1	Message	Date
Malte Schüler	90de1f3ab6	plovasp: added new input flags. Implemented band selection. Finished implementing corr.	2019-06-27 09:05:04 +02:00
Oleg Peil	19ce8a83e8	Modified check and output of projectors to a pg-file	2018-12-04 12:52:02 -05:00
Oleg E. Peil	0ae83d18b3	Added site-dependent phases to projectors ... Now the projectors are defined in agreement with the formulas in Amadon et al. Specifically, the phase exp(-i k Q) for site Q is included.	2016-09-13 11:47:13 +02:00
Oleg E. Peil	45ed1ba0fc	Added output of local Hamiltonian ... The local Hamiltonian is now output after the density matrix. This is mainly needed for debug purposes. At a later stage the output should be better formatted and controlled.	2016-02-09 13:48:39 +01:00
Oleg E. Peil	bda2e5e2a3	Added copyright disclaimers to PLOVasp sources	2016-02-01 14:06:41 +01:00
Oleg E. Peil	3e63c0f0f5	Improved output of the density matrix	2015-12-09 11:55:29 +01:00
Oleg E. Peil	b02d13ebd8	Fixed the output of band indices to vasp.pgX ... The band indices should be converted to Fortran convention, i.e. starting from 1, in the output files because the are used in the density matrix file which is read by a Fortran code.	2015-12-04 19:55:37 +01:00
Oleg E. Peil	0d65f38a61	Moved PLOVasp files to converters/plovasp	2015-11-27 10:48:15 +01:00