All public logs
Combined display of all available logs of VASP Wiki. You can narrow down the view by selecting a log type, the username (case-sensitive), or the affected page (also case-sensitive).
- 11:57, 15 April 2024 Wolloch talk contribs moved page FML SWAPNUM to Construction:FMP SWAPNUM
- 11:56, 15 April 2024 Wolloch talk contribs moved page FML SNUMBER to Construction:FMP SNUMBER
- 11:55, 15 April 2024 Wolloch talk contribs moved page FML PERIOD to Construction:FMP PERIOD
- 11:54, 15 April 2024 Wolloch talk contribs moved page FML DIRECTION to Construction:FMP DIRECTION
- 11:53, 15 April 2024 Wolloch talk contribs moved page FML ACTIVE to Construction:FMP ACTIVE
- 13:11, 27 March 2024 Singraber talk contribs created page Template:Table - Output interval options (Created page with "{| class="wikitable" ! Output file/property !! {{TAG|NBLOCK}} !! colspan="2" | {{TAG|ML_OUTBLOCK}} |- | || || <math>\leq</math> 6.4.2 || <math>\geq</math> 6.4.3 |- | screen output || no || yes || yes |- | {{FILE|OSZICAR}} || no || yes || yes |- | {{FILE|OUTCAR}} || colspan="3" | |- |  ...")
- 13:20, 26 March 2024 User account Csheldon talk contribs was created by Vaspmaster talk contribs
- 14:10, 20 March 2024 Karsai talk contribs deleted page Construction:ML NRANK SPARSDES (content was: "{{DISPLAYTITLE:ML_NRANK_SPARSDES}} {{TAGDEF|ML_NRANK_SPARSDES|[integer]|5}} Description: This tag sets the number of highest eigenvalues to which the correlation is measured within the angular descriptor sparsification (within the machine learning force field method). {{NB|mind|This tag is only available as of VASP 6.4.3.}} ---- This tag usually does not need to be changed by th...", and the only contributor was "Karsai" (talk))
- 14:09, 20 March 2024 Karsai talk contribs deleted page Construction:ML RDES SPARSDES (content was: "{{DISPLAYTITLE:ML_RDES_SPARSDES}} {{TAGDEF|ML_RDES_SPARSDES|[real]|0.5}} Description: Sets the ratio of descriptors kept during angular-descriptor sparsification. {{NB|mind|This tag is only available as of VASP 6.4.3.}} ---- During angular-descriptor sparsification ({{TAG|ML_LSPARSDES}}=T), insignifi...", and the only contributor was "Karsai" (talk))
- 14:08, 20 March 2024 Karsai talk contribs deleted page Construction:ML LSPARSDES (content was: "{{DISPLAYTITLE:ML_LSPARSDES}} {{TAGDEF|ML_LSPARSDES|[logical]|.FALSE.}} Description: Specifies whether angular-descriptor sparsification is enabled within the machine learning force field method. {{NB|mind|This tag is only available as of VASP 6.4.3.}} ---- To use the Machine learning force field: Theory#Sparsification of angular descriptors|sparsification of angular descripto...", and the only contributor was "Karsai" (talk))
- 14:07, 20 March 2024 Karsai talk contribs deleted page Construction:ML DESC TYPE (content was: "{{DISPLAYTITLE:ML_DESC_TYPE}} {{TAGDEF|ML_DESC_TYPE|[integer]|0}} Description: This tag selects the descriptor type of the three-body descriptor used in machine learning force fields. {{NB|mind|This tag is only available as of VASP 6.4.3.}} ---- {{NB|mind|This tag is only available for {{TAG|ML_MODE}}{{=}}'refit' and {{TAG|ML_MODE}}{{=}}'run'}}. This tag selects how the three-bo...", and the only contributor was "Karsai" (talk))
- 13:56, 20 March 2024 Karsai talk contribs created page ML DESC TYPE (Created page with "{{DISPLAYTITLE:ML_DESC_TYPE}} {{TAGDEF|ML_DESC_TYPE|[integer]|0}} Description: This tag selects the descriptor type of the three-body descriptor used in machine learning force fields. {{NB|mind|This tag is only available as of VASP 6.4.3.}} ---- {{NB|mind|This tag is only available for {{TAG|ML_MODE}}{{=}}'refit' and {{TAG|ML_MODE}}{{=}}'run'}}. This tag selects how the three-body descriptor is calculated and the following options are available: *{{TAG|ML_DESC_TYPE}}=0:...")
- 14:36, 19 March 2024 Huebsch talk contribs moved page Construction:ML MB MIN to ML MB MIN without leaving a redirect
- 13:17, 19 March 2024 Huebsch talk contribs moved page Construction:METAGGA to METAGGA without leaving a redirect
- 13:17, 19 March 2024 Huebsch talk contribs deleted page METAGGA (Deleted to make way for move from "Construction:METAGGA")
- 12:59, 19 March 2024 Huebsch talk contribs moved page Construction:Wannier orbitals from VASP to Wannier orbitals from VASP without leaving a redirect
- 12:49, 19 March 2024 Huebsch talk contribs moved page Construction:LKPOINTS WAN to LKPOINTS WAN without leaving a redirect
- 12:48, 19 March 2024 Huebsch talk contribs moved page Construction:KPOINTS WAN to KPOINTS WAN without leaving a redirect
- 12:29, 19 March 2024 Huebsch talk contribs moved page Construction:PARAM2 to PARAM2 without leaving a redirect
- 12:29, 19 March 2024 Huebsch talk contribs deleted page PARAM2 (Deleted to make way for move from "Construction:PARAM2")
- 12:28, 19 March 2024 Huebsch talk contribs moved page Construction:PARAM1 to PARAM1 without leaving a redirect
- 12:28, 19 March 2024 Huebsch talk contribs deleted page PARAM1 (Deleted to make way for move from "Construction:PARAM1")
- 12:18, 19 March 2024 Huebsch talk contribs moved page Construction:GAMMA VDW to GAMMA VDW without leaving a redirect
- 12:18, 19 March 2024 Huebsch talk contribs moved page Construction:ALPHA VDW to ALPHA VDW without leaving a redirect
- 12:16, 19 March 2024 Huebsch talk contribs moved page Construction:Nonlocal vdW-DF functionals to Nonlocal vdW-DF functionals without leaving a redirect
- 12:16, 19 March 2024 Huebsch talk contribs deleted page Nonlocal vdW-DF functionals (Deleted to make way for move from "Construction:Nonlocal vdW-DF functionals")
- 12:12, 19 March 2024 Huebsch talk contribs deleted page Construction:Precompiler options (content was: "Precompiler flags are used to activate/deactivate certain code features at the time of compilation, e.g., the use of MPI, the advanced molecular dynamics features, etc. Many precompiler flags are set by default in the templates provided for the makefile.include file. The commands are as follows: ;CPP :The command to invoke the precompiler yo...", and the only contributor was "Ftran" (talk))
- 12:11, 19 March 2024 Huebsch talk contribs deleted page Construction:Makefile.include (content was: "{{DISPLAYTITLE:makefile.include}} Writing a <code>makefile.include</code> file from scratch is not easy, so we suggest taking one of archetypical files that closely resembles your system as a starting point. It is necessary to customize it anyways to set appropriate paths etc. Optionally, you can enable additional features by setting precompiler flags or lin...", and the only contributor was "Ftran" (talk))
- 11:34, 19 March 2024 Huebsch talk contribs moved page Construction:LIBMBD PARALLEL MODE to LIBMBD PARALLEL MODE without leaving a redirect
- 11:33, 19 March 2024 Huebsch talk contribs moved page Construction:LIBMBD K GRID SHIFT to LIBMBD K GRID SHIFT without leaving a redirect
- 11:32, 19 March 2024 Huebsch talk contribs moved page Construction:LIBMBD K GRID to LIBMBD K GRID without leaving a redirect
- 11:31, 19 March 2024 Huebsch talk contribs moved page Construction:LIBMBD N OMEGA GRID to LIBMBD N OMEGA GRID without leaving a redirect
- 11:31, 19 March 2024 Huebsch talk contribs moved page Construction:LIBMBD R0AU to LIBMBD R0AU without leaving a redirect
- 11:30, 19 March 2024 Huebsch talk contribs moved page Construction:LIBMBD ALPHA to LIBMBD ALPHA without leaving a redirect
- 11:19, 19 March 2024 Huebsch talk contribs moved page Construction:LIBMBD C6AU to LIBMBD C6AU without leaving a redirect
- 11:15, 19 March 2024 Huebsch talk contribs moved page Construction:LIBMBD MBD BETA to LIBMBD MBD BETA without leaving a redirect
- 11:14, 19 March 2024 Huebsch talk contribs moved page Construction:LIBMBD MBD A to LIBMBD MBD A without leaving a redirect
- 11:13, 19 March 2024 Huebsch talk contribs moved page Construction:LIBMBD TS SR to LIBMBD TS SR without leaving a redirect
- 11:13, 19 March 2024 Huebsch talk contribs moved page Construction:LIBMBD TS D to LIBMBD TS D without leaving a redirect
- 11:12, 19 March 2024 Huebsch talk contribs moved page Construction:LIBMBD VDW PARAMS KIND to LIBMBD VDW PARAMS KIND without leaving a redirect
- 11:11, 19 March 2024 Huebsch talk contribs moved page Construction:LIBMBD XC to LIBMBD XC without leaving a redirect
- 11:10, 19 March 2024 Huebsch talk contribs moved page Construction:LIBMBD METHOD to LIBMBD METHOD without leaving a redirect
- 11:05, 19 March 2024 Huebsch talk contribs created page Category:Version (Created blank page) Tag: Visual edit: Switched
- 11:04, 19 March 2024 Huebsch talk contribs moved page Construction:Changelog to Changelog without leaving a redirect
- 10:54, 19 March 2024 Huebsch talk contribs moved page Construction:BANDGAP to BANDGAP without leaving a redirect
- 10:53, 19 March 2024 Huebsch talk contribs moved page Construction:BSEELECTRON to BSEELECTRON without leaving a redirect
- 10:53, 19 March 2024 Huebsch talk contribs moved page Construction:BSEHOLE to BSEHOLE without leaving a redirect
- 10:52, 19 March 2024 Huebsch talk contribs moved page Construction:Plotting exciton wavefunction to Plotting exciton wavefunction without leaving a redirect
- 10:50, 19 March 2024 Huebsch talk contribs moved page Construction:XC C to XC C without leaving a redirect
- 10:50, 19 March 2024 Huebsch talk contribs moved page Construction:XC to XC without leaving a redirect
- 10:56, 13 March 2024 Vaspmaster talk contribs created page Talk:Known issues (Created page with "Below we provide an '''incomplete''' list of known issues. Please mind the description to see whether the issue has been fixed. Color legend: <span style="background:#EAAEB2">Open</span> <span style="background:#ACE9E5">Resolved</span> <span style="background:#9AB7FE">Planned</span> <span style="background:#CBCBCB">Obsolete</span> {| class="sortable wikitable" |- ! style=width:5em | Version fixed !! style="text-align:center;"| Version first noticed !! Date !! Descri...")
- 16:59, 12 March 2024 Vaspmaster talk contribs created page Construction:Changelog (Created page with "== 6.4.3 == ==== FEATURE ==== * Non-blocked Davidson minimizer ({{TAG|ALGO}} = dav <-> {{TAG|IALGO}} = 119). * Increased flexibility in the choice of exchange-correlation functionals: added the tags {{TAG|XC}} and {{TAG|XC_C}} to specify linear combinations of exchange-correlation functionals. * Spline interpolation of the electronic structure factor for k-point convergence acceleration of RPA correlation energies. * CSVR thermostat of Bussi et al. * Write potential (to...")
- 07:48, 26 February 2024 Huebsch talk contribs moved page Construction:IBAND to IBAND without leaving a redirect
- 07:48, 26 February 2024 Huebsch talk contribs deleted page IBAND (Deleted to make way for move from "Construction:IBAND")
- 07:47, 26 February 2024 Huebsch talk contribs moved page Construction:Kpuse to KPUSE without leaving a redirect
- 07:47, 26 February 2024 Huebsch talk contribs deleted page KPUSE (Deleted to make way for move from "Construction:Kpuse")
- 15:03, 23 February 2024 Mani talk contribs created page File:AlN-phonons-LR-comparison.png (Phonon dispersion relation of AlN (wurtzite) comparing calculations with and without long-range dipole corrections.)
- 15:03, 23 February 2024 Mani talk contribs uploaded File:AlN-phonons-LR-comparison.png (Phonon dispersion relation of AlN (wurtzite) comparing calculations with and without long-range dipole corrections.)
- 15:03, 23 February 2024 Mani talk contribs created page File:MgO-phonons-LR-comparison.png (Phonon dispersion relation of MgO comparing calculations with and without long-range corrections.)
- 15:03, 23 February 2024 Mani talk contribs uploaded File:MgO-phonons-LR-comparison.png (Phonon dispersion relation of MgO comparing calculations with and without long-range corrections.)
- 13:45, 22 February 2024 Huebsch talk contribs created page GW (Redirected page to Category:GW) Tag: New redirect
- 09:07, 21 February 2024 Huebsch talk contribs deleted page Category:VASP6 (content was: "Features that are likely to be released and already documented are enumerated below. However, it needs to be understood that some features that are listed below might not become available in the first release of VASP.6, though, they likely to become available in the long run. Features that are scheduled for release with VASP.6 include * Combining MPI and OpenMP * OpenACC to support GPUs * X-ray absorption spectroscopy (XAS)...")
- 08:08, 21 February 2024 Kaltakm talk contribs deleted page Construction:DMFT BASIS (content was: "{{DISPLAYTITLE:DMFT_BASIS}} {{TAGDEF|DMFT_BASIS|MLWF {{!}} BLOCH {{!}} LOCPROJ}} Description: Specifies which basis is used for Coulomb matrix elements in CRPA calculations. ---- This tag is effective for {{TAG|ALGO}}=CRPA[R] and {{TAG|ALGO}}=2E4W and is ignored otherwise. The tag affects how {{TAG|NTARGET_STATES}} is interpreted. For instance DMFT_BASIS = BLOCH NTARGET_STATES = 1 4 5 8 evaluates the Coulomb matrix elements in the Bloch basis for band 1, 4, 5 and 8. In...")
- 08:06, 21 February 2024 Kaltakm talk contribs created page DMFT BASIS (Created page with "{{DISPLAYTITLE:DMFT_BASIS}} {{TAGDEF|DMFT_BASIS|MLWF {{!}} BLOCH {{!}} LOCPROJ}} Description: Specifies which basis is used for Coulomb matrix elements in CRPA calculations. ---- This tag is effective for {{TAG|ALGO}}=CRPA[R] and {{TAG|ALGO}}=2E4W and is ignored otherwise. The tag affects how {{TAG|NTARGET_STATES}} is interpreted. For instance DMFT_BASIS = BLOCH NTARGET_STATES = 1 4 5 8 evaluates the Coulomb matrix elements in the Bloch basis for band 1, 4, 5 and...")
- 07:37, 14 February 2024 Huebsch talk contribs moved page Construction:PARCHG to PARCHG without leaving a redirect
- 07:36, 14 February 2024 Huebsch talk contribs deleted page PARCHG (Deleted to make way for move from "Construction:PARCHG")
- 09:24, 12 February 2024 Tal talk contribs moved page Construction:Plot exciton wavefunction to Construction:Plotting exciton wavefunction
- 16:31, 9 February 2024 Wolloch talk contribs created page Construction:Kpuse (Created page with "{{TAGDEF|KPUSE|[integer array]|not set}} Description: {{TAG|KPUSE}} sets a list of '''k''' points that contribute to calculating the partial charge density. ---- {{TAG|IBAND}} selects a subset of ''k''' points for which the partial charge density is calculated when {{TAG|LPARD}} = .TRUE.. Partial charge densities are written to the {{FILE|PARCHG}} file, or one of its variants, depending on the setting of {{TAG|LSEPB}} and {{TAG|LSEPK}}. {{NB|mind|All '''k''' point weigh...")
- 16:20, 9 February 2024 Wolloch talk contribs created page PARCHG.0001.0001 (Redirected page to PARCHG) Tag: New redirect
- 16:20, 9 February 2024 Wolloch talk contribs created page PARCHG.nb.ALLK (Redirected page to PARCHG) Tag: New redirect
- 16:19, 9 February 2024 Wolloch talk contribs created page PARCHG.ALLB.nk (Redirected page to PARCHG) Tag: New redirect
- 14:03, 9 February 2024 Svijay talk contribs moved page Construction:Practical considerations for transition state finding calculations to Practical considerations for transition state finding calculations
- 13:20, 9 February 2024 Singraber talk contribs created page Construction:ML MB MIN (Created page with "{{TAGDEF|ML_MB_MIN|[integer]}} {{DEF|ML_MB_MIN|2|}} Description: {{TAG|ML_MB_MIN}} sets the minimum number of local reference configurations required for generation of a machine-learned force field. ---- == Related tags and articles== {{TAG|ML_LMLFF}}, {{TAG|ML_MODE}}, {{TAG|ML_MB}}, {{TAG|ML_MCONF_NEW}}, {{TAG|ML_MCONF}}, {{TAG| ML_LBASIS_DISCARD}} {{sc|ML_MB_MIN|Examples|Examples that use this tag}} ---- <!-- Link to categories like this: Category:INCARCatego...")
- 13:19, 9 February 2024 Huebsch talk contribs moved page Müller-Plathe method to Construction:Müller-Plathe method without leaving a redirect
- 12:31, 9 February 2024 Singraber talk contribs created page Template:CB (Created page with "{{{1}}}<noinclude> == Purpose == Create a code block which can be indented with the usual <code>:</code> indentation marker. == Parameters == <nowiki> {{CB|<content>|<<padding>>}}</nowiki> == Examples == Without optional arguments these boxes are available: <nowiki> {{CB|MY_SPECIAL_TAG = A B C}} {{CB|MY_SPECIAL_TAG = A B C}} </noinclude>")
- 12:03, 9 February 2024 Huebsch talk contribs moved page Construction:Band-decomposed charge densities to Band-decomposed charge densities without leaving a redirect
- 12:02, 9 February 2024 Huebsch talk contribs moved page Construction:LPARD to LPARD without leaving a redirect
- 12:02, 9 February 2024 Huebsch talk contribs deleted page LPARD (Deleted to make way for move from "Construction:LPARD")
- 12:01, 9 February 2024 Huebsch talk contribs moved page Construction:LSEPK to LSEPK without leaving a redirect
- 12:01, 9 February 2024 Huebsch talk contribs deleted page LSEPK (Deleted to make way for move from "Construction:LSEPK")
- 11:59, 9 February 2024 Huebsch talk contribs deleted page Construction:LSEPB (content was: "{{TAGDEF|LSEPB|[logical]|.FALSE.}} Description: Specifies whether the partial charge density is summed up for all selected bands or separated and printed out in different files. ---- If {{TAG|LPARD}} = .TRUE. the partial charge density is calculated for a subset of bands selected via the {{TAG|IBAND}}, {{TAG|NBMOD}}, and {{TAG|EINT}} tags. If {{TAG|LSEPB}} is set to .TRUE., s...", and the only contributor was "Wolloch" (talk))
- 11:58, 9 February 2024 Huebsch talk contribs moved page Construction:NBMOD to NBMOD without leaving a redirect
- 11:57, 9 February 2024 Huebsch talk contribs deleted page NBMOD (Deleted to make way for move from "Construction:NBMOD")
- 11:57, 9 February 2024 Huebsch talk contribs moved page Construction:EINT to EINT without leaving a redirect
- 11:57, 9 February 2024 Huebsch talk contribs deleted page EINT (Deleted to make way for move from "Construction:EINT")
- 11:11, 9 February 2024 Miranda.henrique talk contribs created page Construction:Electric field response from density-functional-perturbation theory (Created page with "'''Density-functional-perturbation theory''' provides a way to compute the second-order linear response to ionic displacement, strain, and electric fields. The equations are derived as follows. In density-functional theory, we solve the Kohn-Sham (KS) equations :<math> H(\mathbf{k}) | \psi_{n\mathbf{k}} \rangle= e_{n\mathbf{k}}S(\mathbf{k}) | \psi_{n\mathbf{k}} \rangle, </math> where <math>H(\mathbf{k})</math> is the DFT Hamiltonian, <math>S(\mathbf{k})</math> is the...")
- 10:06, 9 February 2024 Mani talk contribs uploaded a new version of File:Scdm-bands-c-4.png (remove excessive padding)
- 09:57, 9 February 2024 Mani talk contribs created page File:Locproj-c-4.png (Band structure of diamond showing the four highest-lying valence states, comparing Wannier interpolation using LOCPROJ against ab-initio data.)
- 09:57, 9 February 2024 Mani talk contribs uploaded File:Locproj-c-4.png (Band structure of diamond showing the four highest-lying valence states, comparing Wannier interpolation using LOCPROJ against ab-initio data.)
- 21:47, 8 February 2024 Mani talk contribs created page Construction:Wannier orbitals from VASP (Start refactoring the page so that it combines LOCPROJ and SCDM into one. This makes more sense as the overlap between the two methods is just too large.)
- 17:10, 8 February 2024 Vaspmaster talk contribs created page BEXT (Created page with "{{DISPLAYTITLE:BEXT}} {{TAGDEF|BEXT|[real array]}} {{DEF|BEXT|0.0|if {{TAG|ISPIN}}{{=}}2|3*0.0|if {{TAG|LNONCOLLINEAR}}{{=}}.TRUE.| N/A | else}} Description: {{TAG|BEXT}} specifies an external magnetic field. ---- By means of the {{TAG|BEXT}} one may specify an external magnetic field that acts on the electrons in a Zeeman-like manner. This interaction is carried by an additional potential of the following form: * For {{TAG|ISPIN}}=2: :<math> V^{\uparrow} = V^{\uparr...")
- 15:54, 8 February 2024 Ftran talk contribs created page Construction:LIBMBD PARALLEL MODE (Created page with "{{DISPLAYTITLE:LIBMBD_PARALLEL_MODE}} {{TAGDEF|LIBMBD_PARALLEL_MODE|auto {{!}} kpoints {{!}} atoms}} Default: {{TAG|LIBMBD_PARALLEL_MODE}}=auto Description: {{TAG|LIBMBD_PARALLEL_MODE}} selects the parallelization scheme used for the methods implemented in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}. ---- {{TAG|LIBMBD_PARALLEL_MODE}} allows to choose the parallelization scheme used for the methods implem...")
- 15:08, 8 February 2024 Ftran talk contribs created page Construction:LIBMBD R0AU (Created page with "{{DISPLAYTITLE:LIBMBD_R0AU}} {{TAGDEF|LIBMBD_R0AU|[real array]}} Description: {{TAG|LIBMBD_R0AU}} defines the free-atom <math>C_6</math> parameters (<math>\mathrm{Hartree}</math> <math>\mathrm{bohr}^{6}</math>) used in the Tkatchenko-Scheffler and Many-body dispersion energy methods as implemented in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}. ---- {{TAG|LIBMBD_R0AU}}...")
- 14:53, 8 February 2024 Ftran talk contribs created page Construction:LIBMBD C6AU (Created page with "{{DISPLAYTITLE:LIBMBD_C6AU}} {{TAGDEF|LIBMBD_C6AU|[real array]}} Description: {{TAG|LIBMBD_C6AU}} defines the free-atom <math>C_6</math> parameters (<math>\mathrm{Hartree}</math> <math>\mathrm{bohr}^{6}</math>) within the Tkatchenko-Scheffler and many-body methods as implemented in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}. ---- {{TAG|LIBMBD_C6AU}} allows to set values fo...")
- 14:30, 8 February 2024 Svijay talk contribs created page File:Example neb negative energies.png (An example of an NEB calculation gone "wrong".)
- 14:30, 8 February 2024 Svijay talk contribs uploaded File:Example neb negative energies.png (An example of an NEB calculation gone "wrong".)
- 13:57, 8 February 2024 Mani talk contribs uploaded a new version of File:Scdm-bands-lif-disentangle.png (Better legend placement)
- 13:53, 8 February 2024 Mani talk contribs uploaded a new version of File:Scdm-bands-lif-disentangle.png
- 13:43, 8 February 2024 Mani talk contribs created page File:Scdm-bands-lif-disentangle.png (Band structure of LiF comparing Wannier interpolation using SCDM against ab-initio data.)
- 13:43, 8 February 2024 Mani talk contribs uploaded File:Scdm-bands-lif-disentangle.png (Band structure of LiF comparing Wannier interpolation using SCDM against ab-initio data.)