68 commits

Author	SHA1	Message	Date
Ole Schütt	8535040288	Docs: Fix diagram in methods/dft/gpw.md	2024-12-28 14:05:07 +01:00
Ole Schütt	02861f8d08	Docs: Intro text and flowchart to GPW page	2024-12-21 17:25:14 +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
Augustin Bussy	feaa26d2cd	Added journal reference	2024-07-30 09:51:44 +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
Frederick Stein	d4e6b0c644	Add additional references	2024-06-14 12:35:40 +02:00
Frederick Stein	59ce2abea8	Docs: Extend documentation of post-Hartree-Fock methods	2024-06-14 12:35:40 +02:00
Andre Borrfors	83ed01107c	fixed cutoff and rel_cutoff tutorial ... squash various syntax edits pretty	2024-05-25 23:06:56 +02:00
Ole Schütt	10d5862cfd	Manual: Add support for youtube videos	2024-04-09 23:50:49 +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	39e565f3c0	Manual: Set TOC maxdepth=2 in subfolder indexes	2024-02-25 16:33:46 +01:00
Ole Schütt	0f47048474	Manual: Create folder for Optical Spectroscopy	2024-02-23 23:34:56 +01:00
Ole Schütt	143fc55fcf	Manual: Create folder for Hartree-Fock Exchange	2024-02-23 23:20:00 +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	94016fe734	Manual: Add links to RI-HFX page	2024-01-26 15:55:04 +01:00
abussy	b8aa4e11f5	Low-scaling post-HF documentation	2024-01-23 16:07:07 +01:00
abussy	d90c47c072	RI-HFX (incl. k-points) docs/tuto	2024-01-22 11:38:57 +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	e4dcdfee98	Manual: Migrate howto:geometry_optimisation from wiki (Orig. Author: Lianheng Tong)	2024-01-14 15:24:48 +01:00
Ole Schütt	34a199bafc	Manual: Migrate howto:langevin_regions from wiki (Orig. Author: Lianheng Tong)	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
Futaki Haduki	45e4a2263d	Manual: Add DeePMD-kit documentation	2024-01-12 12:46:13 +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	2b6ea54d62	Format all input files	2023-12-18 22:41:19 +01:00
Ole Schütt	03c4f52a6f	Manual: Migrate howto:gemc from wiki	2023-12-10 23:08:35 +01:00
Ole Schütt	dfb5a55ff3	Manual: Migrate howto:ipi from wiki (Orig. Author: Jinggang Lan)	2023-12-10 23:08:35 +01:00
Ole Schütt	91d9325da1	Manual: Migrate howto:newtonx from wiki (Orig. Author: Anna Hehn)	2023-12-10 23:08:35 +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	2c6bf11af2	Manual: Migrate howto:md from wiki	2023-12-10 23:08:35 +01:00