Variables - Revision history

Davide: /* Optics/BSE in eh-space */

2024-12-05T14:45:51Z

Optics/BSE in eh-space

← Older revision		Revision as of 14:45, 5 December 2024
Line 544:		Line 544:
	{{var-short\|Database for QP corrections.}}		{{var-short\|Database for QP corrections.}}
	{{var-usage\|From a previous GW calculation. An interpolation of the missing QP-values on the basis of the QP-database is available}} ''See also:'' <code>[[Variables#KfnQP_E\|KfnQP_E]]</code>		{{var-usage\|From a previous GW calculation. An interpolation of the missing QP-values on the basis of the QP-database is available}} ''See also:'' <code>[[Variables#KfnQP_E\|KfnQP_E]]</code>
	::Format: "<what> < <path>/ndb.QP" with <what> = E,W,Z for QP energy correction, QP width and renormalization factor. For example, from a previous GW calculation use KfnQPdb= "E < ./SAVE/ndb.QP"		::Format: "<what> < <path>/ndb.QP <interp mode>" with <what> = E,W,Z for QP energy correction, QP width and renormalization factor. <interp mode> = "ubi, uki, uei". For example, from a previous GW calculation use KfnQPdb= "E < ./SAVE/ndb.QP ubi"
	<span id=KfnQP_N></span>		<span id=KfnQP_N></span>
	{{var-basic\|KfnQP_N\|None\|Integer}}{{var-verbosity\|qp}}		{{var-basic\|KfnQP_N\|None\|Integer}}{{var-verbosity\|qp}}
Line 637:		Line 637:
	{{var-short\|}}		{{var-short\|}}
	{{var-usage\|}}		{{var-usage\|}}

	===Bethe Salpeter Kernel===		===Bethe Salpeter Kernel===
	<span id=bsk></span>		<span id=bsk></span>

Daniele at 12:22, 11 June 2021

2021-06-11T12:22:00Z

← Older revision		Revision as of 12:22, 11 June 2021
Line 311:		Line 311:
	{{var-basic\|NGsBlkXd\|RL/Energy\|Integer/Real}}		{{var-basic\|NGsBlkXd\|RL/Energy\|Integer/Real}}
	{{var-short\|Number of G-vectors or energy cut off in the screening (response block size)}}		{{var-short\|Number of G-vectors or energy cut off in the screening (response block size)}}
	{{var-usage\|Determines the size of the dielectric matrix in G-space. Needed for inclusion of local field effects, it should be much smaller than the number of G-vectors needed to expand the wavefunctions (FFTGvecs). It needs careful convergence, and should be converged along with ~~BndsRnXp~~. Depends strongly on the system inhomogeneity.}} ''See also:'' <code>[[Variables#BndsRnXp\|BndsRnXp]]</code><code>[[Variables#FFTGvecs\|FFTGvecs]]</code>		{{var-usage\|Determines the size of the dielectric matrix in G-space. Needed for inclusion of local field effects, it should be much smaller than the number of G-vectors needed to expand the wavefunctions (FFTGvecs). It needs careful convergence, and should be converged along with BndsRnXd. Depends strongly on the system inhomogeneity.}} ''See also:'' <code>[[Variables#BndsRnXp\|BndsRnXp]]</code><code>[[Variables#FFTGvecs\|FFTGvecs]]</code>
	<span id=PPAPntXp></span>		<span id=PPAPntXp></span>
	{{var-basic\|PPAPntXp\|Energy\|Real}}{{var-default\|1 Ha (27.2114eV)}}		{{var-basic\|PPAPntXp\|Energy\|Real}}{{var-default\|1 Ha (27.2114eV)}}

Daniele: /* Bethe Salpeter Kernel */

2020-02-14T14:22:08Z

Bethe Salpeter Kernel

← Older revision		Revision as of 14:22, 14 February 2020
Line 641:		Line 641:
	{{var-basic\|bsk\|None\|String}}		{{var-basic\|bsk\|None\|String}}
	{{var-short\|Runlevel name: "Bethe Salpeter Equation kernel"}}		{{var-short\|Runlevel name: "Bethe Salpeter Equation kernel"}}
	{{var-usage\|Activate with -y <opt>}}		{{var-usage\|Activate with -k <opt>}}
	<span id=bss></span>		<span id=bss></span>
	{{var-basic\|bss\|None\|String}}		{{var-basic\|bss\|None\|String}}
Line 694:		Line 694:
	{{var-short\|}}		{{var-short\|}}
	{{var-usage\|}}		{{var-usage\|}}

	===Non-linear===		===Non-linear===
	<span id=nloptics></span>		<span id=nloptics></span>

Conor at 13:20, 11 November 2019

2019-11-11T13:20:11Z

Show changes

Conor: /* Random integration method and cutoff Coulomb potentials */

2019-11-06T12:09:00Z

Random integration method and cutoff Coulomb potentials

← Older revision		Revision as of 12:09, 6 November 2019
Line 131:		Line 131:
	{{var-basic\|CUTGeo\|None\|String}}		{{var-basic\|CUTGeo\|None\|String}}
	{{var-short\|Cutoff geometry}}		{{var-short\|Cutoff geometry}}
	{{var-usage\|Allowed values are: "box/cylinder/sphere/ws X/Y/Z/XY...", e.g. "box xy" or "cylinder y". WS is the suggested option for orthorhombic cells. Use sphere (0D) for molecules, cylinder (1D) for polymers and nanotubes, box (0D, 1D, 2D) for all geometries. XYZ: cut in all directions. Box: XY: cut in XY only. Cylinder X/Y/Z indicates cylinder axis. When using Box shapes, the RIM is also needed to calculate the potential. In Box for large enough boxes assigns Box side slighlty smaller than the cell box}} ''See also:'' <code>[[Variables#CUTBox/CUTRadius/CUTCylLen/CUTwsGvec\|~~CUTBox/CUTRadius/CUTCylLen/~~CUTwsGvec]]</code>		{{var-usage\|Allowed values are: "box/cylinder/sphere/ws X/Y/Z/XY...", e.g. "box xy" or "cylinder y". WS is the suggested option for orthorhombic cells. Use sphere (0D) for molecules, cylinder (1D) for polymers and nanotubes, box (0D, 1D, 2D) for all geometries. XYZ: cut in all directions. Box: XY: cut in XY only. Cylinder X/Y/Z indicates cylinder axis. When using Box shapes, the RIM is also needed to calculate the potential. In Box for large enough boxes assigns Box side slighlty smaller than the cell box}} ''See also:'' <code>[[Variables#CUTBox\|CUTBox]]</code><code>[[Variables#CUTRadius\|CUTRadius]]</code><code>[[Variables#CUTCylLen\|CUTCylLen]]</code><code>[[Variables#CUTwsGvec\|CUTwsGvec]]</code>
	<span id=CUTBox></span>		<span id=CUTBox></span>
	{{var-basic\|CUTBox\|Length\|Vector}}		{{var-basic\|CUTBox\|Length\|Vector}}
Line 168:		Line 168:
	{{var-short\|Provides in oututput the truncated Coulomb potential in real space}}		{{var-short\|Provides in oututput the truncated Coulomb potential in real space}}
	{{var-usage\|Useful option for debugging purpose}}		{{var-usage\|Useful option for debugging purpose}}

	===Hartree-Fock Self-energy and Vxc===		===Hartree-Fock Self-energy and Vxc===
	<span id=HF_and_locXC></span>		<span id=HF_and_locXC></span>

Conor at 11:27, 6 November 2019

2019-11-06T11:27:07Z

Show changes

Conor at 15:18, 1 November 2019

2019-11-01T15:18:03Z

← Older revision		Revision as of 15:18, 1 November 2019
Line 1:		Line 1:
	This page gives a brief explanation of the ~~format and meaning for~~ input variables used by Yambo. ~~Check~~ the [[Units~~]] and~~ [[Format]] ~~pages for accepted values of each~~.		This page gives a brief explanation of the many input variables used by Yambo. <br>
			Variables apply to the standard <code>yambo</code> '''executable''' unless indicated otherwise. <br>
			'''Default''' values are read from the indicated database file unless stated otherwise.<br>
			Required '''verbosity''' flags are indicated where appropriate.

			'''Units''' can have the following values:
			* None = no unit
			* RL = number of G-vectors
			* Energy = Ha, mHa (Hartree atomic units), Ry, mRy (Rydberg atomic units), eV, meV (electron volts), K, THz, GHz
			* Length = Bohr atomic units a.u.
			<!--* Time = ps, fs, as
			* Magnetic field = T
			* Electric field = V/mm
			* Angle = deg, rad -->

			'''Formats''' are described on the [[Format]] page.

	'''DO NOT EDIT THIS PAGE DIRECTLY!!! CHANGES WILL BE LOST!!!'''		'''DO NOT EDIT THIS PAGE DIRECTLY!!! CHANGES WILL BE LOST!!!'''

Conor at 14:32, 31 October 2019

2019-10-31T14:32:27Z

Show changes

Conor at 11:18, 30 October 2019

2019-10-30T11:18:12Z

← Older revision		Revision as of 11:18, 30 October 2019
Line 1:		Line 1:
	This page gives a brief explanation of the format and meaning for input variables used by Yambo. Check the [[Units]] and [[Format]] pages for accepted values of each.		This page gives a brief explanation of the format and meaning for input variables used by Yambo. Check the [[Units]] and [[Format]] pages for accepted values of each.

			'''DO NOT EDIT THIS PAGE DIRECTLY!!! CHANGES WILL BE LOST!!!'''

	<!-- Eventually it will be split into separate pages per runlevel, with the Units/Formats appearing just on the main page.		<!-- Eventually it will be split into separate pages per runlevel, with the Units/Formats appearing just on the main page.
	Links can be made to runlevel sections with <nowiki>Variables#Initialization</nowiki> and to single variables with <nowiki>Variables#MaxGvecs</nowiki>, etc. Use the template ''var3''. Some characters will mess up the template, such as equal signs - this may explain why some of your text is missing. THIS CAN BE FIXED WITH NAMED OPTIONS -->		Links can be made to runlevel sections with <nowiki>Variables#Initialization</nowiki> and to single variables with <nowiki>Variables#MaxGvecs</nowiki>, etc. Use the template ''var3''. Some characters will mess up the template, such as equal signs - this may explain why some of your text is missing. THIS CAN BE FIXED WITH NAMED OPTIONS -->

Conor at 10:59, 30 October 2019

2019-10-30T10:59:49Z

Show changes

← Older revision		Revision as of 12:22, 11 June 2021
Line 311:		Line 311:
	{{var-basic\|NGsBlkXd\|RL/Energy\|Integer/Real}}		{{var-basic\|NGsBlkXd\|RL/Energy\|Integer/Real}}
	{{var-short\|Number of G-vectors or energy cut off in the screening (response block size)}}		{{var-short\|Number of G-vectors or energy cut off in the screening (response block size)}}
	{{var-usage\|Determines the size of the dielectric matrix in G-space. Needed for inclusion of local field effects, it should be much smaller than the number of G-vectors needed to expand the wavefunctions (FFTGvecs). It needs careful convergence, and should be converged along with ~~BndsRnXp~~. Depends strongly on the system inhomogeneity.}} ''See also:'' <code>[[Variables#BndsRnXp\|BndsRnXp]]</code><code>[[Variables#FFTGvecs\|FFTGvecs]]</code>		{{var-usage\|Determines the size of the dielectric matrix in G-space. Needed for inclusion of local field effects, it should be much smaller than the number of G-vectors needed to expand the wavefunctions (FFTGvecs). It needs careful convergence, and should be converged along with BndsRnXd. Depends strongly on the system inhomogeneity.}} ''See also:'' <code>[[Variables#BndsRnXp\|BndsRnXp]]</code><code>[[Variables#FFTGvecs\|FFTGvecs]]</code>
	<span id=PPAPntXp></span>		<span id=PPAPntXp></span>
	{{var-basic\|PPAPntXp\|Energy\|Real}}{{var-default\|1 Ha (27.2114eV)}}		{{var-basic\|PPAPntXp\|Energy\|Real}}{{var-default\|1 Ha (27.2114eV)}}