46 commits

Author	SHA1	Message	Date
Max Graml	bfcb1ea1d6	BSE: update references (#5515)	2026-07-03 11:19:09 +02:00
SY Wang	78a7633e0d	Reorganize electronic-structure analysis docs (#5341)	2026-06-03 14:28:43 +02:00
Stepan Marek	391a3b0a11	RTBSE : Output readability (#5014) ... Co-authored-by: Štěpán Marek <stepan.marek@physik.uni-regensburg.de>	2026-03-27 10:56:55 +01:00
Ole Schütt	f66d47d961	Docs: Fix references in tddft.md (#4899)	2026-03-03 11:28:52 +01:00
Luis I Hernández Segura	223abcc058	Added more info for spinflip TDDFPT manual and updated citations (#4883)	2026-03-02 12:32:33 +01:00
Ole Schütt	4e03334606	precommit: Update Python packages and re-format	2026-02-24 17:11:52 +01:00
BelizSertcan	4672866f5b	Vibronic spectroscopy post-processing tools	2025-12-10 18:16:03 +01:00
Juerg Hutter	552e9fd4d1	Restricted Space Excitations for TDDFPT (#4560)	2025-11-27 10:36:19 +01:00
Stepan Marek	5ef3a49d68	RT-TDDFT+RT-BSE : Fourier Transform Outputs (#4527) ... Co-authored-by: Štěpán Marek <stepan.marek@physik.uni-regensburg.de>	2025-11-12 16:36:34 +01:00
Max Graml	b5558c7a53	BSE: update H2 example in manual	2025-10-13 13:41:03 +02:00
Stepan Marek	32401ac82c	RTBSE : Change of input structure ... More than one FT is carried out in the code, so the global FT parameters were moved to the &RTBSE section in the input. Also, allowed for more than one element of polarizability to be printed out.	2025-03-05 22:48:23 +01:00
BelizSertcan	1924960361	fix outdated libxc usage in xas docs	2025-02-19 13:47:59 +01:00
Stepan Marek	26096efc00	RTBSE - Code and Input structure	2025-01-31 11:21:43 +01:00
Max Graml	8d6c72d63a	adjust recommendation for GW flavor	2025-01-20 14:15:33 +01:00
Max Graml	e271e86bc0	adjust links for gw examples in manual	2025-01-08 10:00:05 +01:00
Max Graml	5b22e8b240	BSE: Minor changes for spectra ... - add computation and printing of photoabsorption cross section - improve handling of BSE calculations where PERIODIC XYZ is invoked	2024-12-17 10:53:13 +01:00
Max Graml	15f7139ffc	BSE: Add more options for setup of Casida equation	2024-12-06 11:52:36 +01:00
Max Graml	4dc10b3491	BSE: new features and update manual (#3781)	2024-11-20 16:34:36 +01:00
Stepan Marek	2e877d3805	RTBSE : Documentation update ... Expanded on some concepts in the documentation and added snippets of example output. Also harmonized the contents with the review paper which is in preparation.	2024-10-11 10:59:44 +02:00
Stepan Marek	8db65d5a85	Real time Bethe-Salpeter Propagation (#3691) ... Co-authored-by: Štěpán Marek <stepan.marek@physik.uni-regensburg.de> Co-authored-by: Stepan Marek <di75qec@login01.sng.lrz.de>	2024-09-25 15:50:42 +02:00
Jan Wilhelm	9e593d536b	Introduction on "Optical Spectroscopy"; clean comments in common/bibliography.F	2024-07-31 22:24:12 +02:00
Ole Schütt	e85eed0387	Docs: Reformat authors to match APS citation style	2024-07-30 12:32:31 +02:00
Jan Wilhelm	1b6f62e97f	improve convergence of GW bandstructure calculation & improve manual	2024-07-30 10:21:02 +02:00
Ole Schütt	96bff0e4cc	Docs: Sprinkle in some recorded talks	2024-07-26 22:20:21 +02:00
Ole Schütt	df1522a844	Docs: Switch links to cp2k-examples repository	2024-07-25 21:16:46 +02:00
Jan Wilhelm	0a07105a81	Docs: Update GW and GW+BSE howto	2024-07-25 16:35:45 +02:00
Ole Schütt	6c3f55cdf6	Docs: Some minor touch ups	2024-07-22 10:01:13 +02:00
Max Graml	aa4c4586da	Docs: Improve BSE methods section	2024-07-12 15:49:48 +02:00
marcella	c9f1927411	improved documentation RTP with delta kick for spectra calculations (#3529)	2024-07-04 20:34:35 +02:00
marcella	b94eb8a185	EMD Documentation (#3528)	2024-07-04 16:54:41 +02:00
fbranunes	1a2ff8ad63	Docs: Updated tutorials on metadynamics and delta scf	2024-07-01 17:29:50 +02:00
marcella	f5a917bc5f	Docs: Update delta-kick.md	2024-06-17 22:47:18 +02:00
Max Graml	05e7fda167	Add methods section for Bethe-Salpeter	2024-03-22 17:18:29 +01:00
Ole Schütt	38a20dc40e	Rename reference Graml2023 to Graml2024	2024-03-01 15:45:08 +01:00
Ole Schütt	0f47048474	Manual: Create folder for Optical Spectroscopy	2024-02-23 23:34:56 +01:00
Ole Schütt	4c9fa1087b	Manual: Add placeholder page for Delta SCF method	2024-02-23 19:45:52 +01:00
Ole Schütt	5fc55b24fa	Manual: Migrate howto:rtp_field_xas from wiki (Orig. Author: Guillaume Le Breton)	2024-02-23 19:45:52 +01:00
Ole Schütt	88f4f8a258	Manual: Migrate howto:delta_kick from wiki (Orig. Author: Guillaume Le Breton)	2024-02-23 19:45:52 +01:00
Ole Schütt	091ac2d761	Manual: Create folder for X-Ray Spectroscopy	2024-02-23 19:45:52 +01:00
Ole Schütt	75a566c04f	Manual: Add more links to placeholder pages	2024-01-14 15:24:48 +01:00
Ole Schütt	60be3d2d66	Manual: Migrate howto:resp from wiki (Orig. Author: Dorothea Golze)	2024-01-14 15:24:48 +01:00
Ole Schütt	7b8daa9167	Manual: Migrate howto:xas_tdp from wiki (Orig. Author: Augustin Bussy)	2024-01-14 15:24:48 +01:00
Ole Schütt	922011330f	Manual: Prepare for new GW / BSE page	2024-01-09 22:03:09 +01:00
Ole Schütt	c078969bf9	Manual: Touch up page names and titles	2023-12-28 14:29:43 +01:00
Ole Schütt	f1c8d858cc	Manual: Migrate howto:tddft from wiki (Orig. Author: Anna Hehn)	2023-12-10 23:08:35 +01:00
Ole Schütt	668feff676	Manual: Add sub-directories to methods section	2023-12-10 17:01:50 +01:00