Optical properties at finite temperature - Revision history

Wikiadmin: /* Using electron-phonon quasi-particles in real-time simulations */

2026-02-04T21:06:44Z

Using electron-phonon quasi-particles in real-time simulations

← Older revision		Revision as of 23:06, 4 February 2026
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	NLCorrelation= "IPA" # [NL] Correlation ("IPA/HARTREE/TDDFT/LRC/LRW/JGM/SEX/LSEX/LHF")		NLCorrelation= "IPA" # [NL] Correlation ("IPA/HARTREE/TDDFT/LRC/LRW/JGM/SEX/LSEX/LHF")
	NLLrcAlpha= 0.000000 # [NL] Long Range Correction		NLLrcAlpha= 0.000000 # [NL] Long Range Correction
	<span style="color:red">NLDamping= 0.~~010000~~</span> eV # [NL] Damping (or dephasing)		<span style="color:red">NLDamping= 0.015000</span> eV # [NL] Damping (or dephasing)
	RADLifeTime=-1.000000 fs # [RT] Radiative life-time (if negative RADLifeTime=Phase_LifeTime)		RADLifeTime=-1.000000 fs # [RT] Radiative life-time (if negative RADLifeTime=Phase_LifeTime)
	#EvalCurrent # [NL] Evaluate the current		#EvalCurrent # [NL] Evaluate the current

Wikiadmin: /* Using electron-phonon quasi-particles in real-time simulations */

2026-02-04T18:50:02Z

Using electron-phonon quasi-particles in real-time simulations

@@ Line 272: / Line 272: @@
   <---> Suggest simulation length: 131.6424 [fs]
-after the you can analyze results with the command <code>ypp_nl -u</code> or using YamboPy.Hereafter we plot optical absorption at 300 Kelvin from real-time vs the linear response one:
+after the you can analyze results with the command <code>ypp_nl -u</code> or using YamboPy. Hereafter the input for <code>ypp_nl</code>.
 [[File:Rt_vs_lr_finite_T.png|center|800px]]The small wiggles in the real-time results indicate the simulation time is not enought and it should be increased.

Wikiadmin: /* Using electron-phonon quasi-particles in real-time simulations */

2026-01-25T13:18:24Z

Using electron-phonon quasi-particles in real-time simulations

← Older revision		Revision as of 15:18, 25 January 2026
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	In this input we read the quasi-particle life time with the line: <span style="color:red">GfnQPdb= "E W < SAVE/ndb.QP"</span>. Notice that we introduce also a small damping factor <span style="color:red">NLDamping= 0.01 [eV]</span> to take into account the dephasing due to the electron-eletrcon interaction and the electron-hole recombination.		In this input we read the quasi-particle life time with the line: <span style="color:red">GfnQPdb= "E W < SAVE/ndb.QP"</span>. Notice that we introduce also a small damping factor <span style="color:red">NLDamping= 0.01 [eV]</span> to take into account the dephasing due to the electron-eletrcon interaction and the electron-hole recombination.

	This small dephasing is the one that sets the total length of the simulation, because the el-ph one has different values for the different transitions. If you run the code in the output the code suggests you and optical length for the linear		This small dephasing is the one that sets the total length of the simulation, because the el-ph one has different values for the different transitions. If you run the code in the output the code suggests you and optical length for the linear reponse, for the non-linear one see. Running the code, it will print in output information of the life-time read from the <code>ndb.QP</code> database:

	reponse, for the non-linear one see. Running the code, it will print in output information of the life-time read from the <code>ndb.QP</code> database:

	<---> Minimum damping detected: 0.001568 [eV]		<---> Minimum damping detected: 0.001568 [eV]
Line 274:		Line 272:
	<---> Suggest simulation length: 131.6424 [fs]		<---> Suggest simulation length: 131.6424 [fs]

	after the you can ~~analize~~ results with the command <code>ypp_nl -u</code> or using YamboPy.Hereafter we plot ~~the final result~~ vs the linear ~~reponse~~ one:		after the you can analyze results with the command <code>ypp_nl -u</code> or using YamboPy.Hereafter we plot optical absorption at 300 Kelvin from real-time vs the linear response one:

	[[File:Rt_vs_lr_finite_T.png\|center\|800px]]The small ~~wigglies~~ in the real-time results indicate the simulation time is not enought and it should be increased.		[[File:Rt_vs_lr_finite_T.png\|center\|800px]]The small wiggles in the real-time results indicate the simulation time is not enought and it should be increased.

	== Phonon-assisted density of states ==		== Phonon-assisted density of states ==

Wikiadmin: /* Using electron-phonon quasi-particles in real-time simulations */

2026-01-25T13:16:58Z

Using electron-phonon quasi-particles in real-time simulations

← Older revision		Revision as of 15:16, 25 January 2026
Line 276:		Line 276:
	after the you can analize results with the command <code>ypp_nl -u</code> or using YamboPy.Hereafter we plot the final result vs the linear reponse one:		after the you can analize results with the command <code>ypp_nl -u</code> or using YamboPy.Hereafter we plot the final result vs the linear reponse one:

	[[File:Rt_vs_lr_finite_T.png\|center\|800px]]		[[File:Rt_vs_lr_finite_T.png\|center\|800px]]The small wigglies in the real-time results indicate the simulation time is not enought and it should be increased.

	== Phonon-assisted density of states ==		== Phonon-assisted density of states ==

Wikiadmin: /* Using electron-phonon quasi-particles in real-time simulations */

2026-01-25T13:14:47Z

Using electron-phonon quasi-particles in real-time simulations

← Older revision		Revision as of 15:14, 25 January 2026
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	<span style="color:red"> 1.000000 \| 0.000000 \| 0.000000 \| </span> # [RT Field1] Versor		<span style="color:red"> 1.000000 \| 0.000000 \| 0.000000 \| </span> # [RT Field1] Versor
	%		%
	In this input we read the quasi-particle life time with the line: <span style="color:red">GfnQPdb= "E W < SAVE/ndb.QP"</span>. Notice that we introduce also a small damping factor <span style="color:red">NLDamping= 0.01 eV</span> to take into account the dephasing due to the electron-eletrcon interaction and the electron-hole recombination.		In this input we read the quasi-particle life time with the line: <span style="color:red">GfnQPdb= "E W < SAVE/ndb.QP"</span>. Notice that we introduce also a small damping factor <span style="color:red">NLDamping= 0.01 [eV]</span> to take into account the dephasing due to the electron-eletrcon interaction and the electron-hole recombination.

	This small dephasing is the one that sets the total length of the simulation, because the el-ph one has different values for the different transitions. If you run the code in the output the code suggests you and optical length for the linear		This small dephasing is the one that sets the total length of the simulation, because the el-ph one has different values for the different transitions. If you run the code in the output the code suggests you and optical length for the linear

Wikiadmin: /* Using electron-phonon quasi-particles in real-time simulations */

2026-01-25T13:14:15Z

Using electron-phonon quasi-particles in real-time simulations

← Older revision		Revision as of 15:14, 25 January 2026
Line 264:		Line 264:
	<span style="color:red"> 1.000000 \| 0.000000 \| 0.000000 \| </span> # [RT Field1] Versor		<span style="color:red"> 1.000000 \| 0.000000 \| 0.000000 \| </span> # [RT Field1] Versor
	%		%
	In this input we read the quasi-particle life time with the line: <span style="color:red">GfnQPdb= "E W < SAVE/ndb.QP"</span>. Notice that we introduce also a small damping factor <span style="color:red">NLDamping= 0.01</span> to take into account the dephasing due to the electron-eletrcon interaction and the electron-hole recombination.		In this input we read the quasi-particle life time with the line: <span style="color:red">GfnQPdb= "E W < SAVE/ndb.QP"</span>. Notice that we introduce also a small damping factor <span style="color:red">NLDamping= 0.01 eV</span> to take into account the dephasing due to the electron-eletrcon interaction and the electron-hole recombination.

	This small dephasing is the one that sets the total length of the simulation, because the el-ph one has different values for the different transitions. If you run the code in the output the code suggests you and optical length for the linear		This small dephasing is the one that sets the total length of the simulation, because the el-ph one has different values for the different transitions. If you run the code in the output the code suggests you and optical length for the linear

Wikiadmin: /* Using electron-phonon quasi-particles in real-time simulations */

2026-01-25T13:13:47Z

Using electron-phonon quasi-particles in real-time simulations

← Older revision		Revision as of 15:13, 25 January 2026
Line 264:		Line 264:
	<span style="color:red"> 1.000000 \| 0.000000 \| 0.000000 \| </span> # [RT Field1] Versor		<span style="color:red"> 1.000000 \| 0.000000 \| 0.000000 \| </span> # [RT Field1] Versor
	%		%
	In this input we read the quasi-particle life time with the line: <span style="color:red">GfnQPdb= "E W < SAVE/ndb.QP"</span>. Notice that we introduce also a small damping factor <span style="color:red">NLDamping= 0.~~010000~~</span> to take into account the dephasing due to the electron-eletrcon interaction and the electron-hole recombination.		In this input we read the quasi-particle life time with the line: <span style="color:red">GfnQPdb= "E W < SAVE/ndb.QP"</span>. Notice that we introduce also a small damping factor <span style="color:red">NLDamping= 0.01</span> to take into account the dephasing due to the electron-eletrcon interaction and the electron-hole recombination.

	This small dephasing is the one that sets the total length of the simulation, because the el-ph one has different values for the different transitions. If you run the code in the output the code suggests you and optical length for the linear		This small dephasing is the one that sets the total length of the simulation, because the el-ph one has different values for the different transitions. If you run the code in the output the code suggests you and optical length for the linear

Wikiadmin: /* Using electron-phonon quasi-particles in real-time simulations */

2026-01-25T13:13:13Z

Using electron-phonon quasi-particles in real-time simulations

← Older revision		Revision as of 15:13, 25 January 2026
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	Btheta= 0.000000 deg # [MAG] Magnetic field theta angle [degree]		Btheta= 0.000000 deg # [MAG] Magnetic field theta angle [degree]
	#RmAllSymm # Remove all symmetries		#RmAllSymm # Remove all symmetries
	<span style="color:red">RmTimeRev</span> # Remove Time Reversal		<span style="color:red">RmTimeRev</span> # Remove Time Reversal
	#RmSpaceInv # Remove Spatial Inversion		#RmSpaceInv # Remove Spatial Inversion
	#KeepKGrid # Do not expand the k-grid		#KeepKGrid # Do not expand the k-grid
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	<span style="color:red"> 1.000000 \| 0.000000 \| 0.000000 \| </span> # [RT Field1] Versor		<span style="color:red"> 1.000000 \| 0.000000 \| 0.000000 \| </span> # [RT Field1] Versor
	%		%
	In this input we read the quasi-particle life time with the line: <span style="color:red">GfnQPdb= "E W < SAVE/ndb.QP"</span>. Notice that we introduce also a small damping factor to take into account the dephasing due to the electron-eletrcon interaction.		In this input we read the quasi-particle life time with the line: <span style="color:red">GfnQPdb= "E W < SAVE/ndb.QP"</span>. Notice that we introduce also a small damping factor <span style="color:red">NLDamping= 0.010000</span> to take into account the dephasing due to the electron-eletrcon interaction and the electron-hole recombination.

	This small dephasing is the one that sets the total length of the simulation, because the el-ph one has different values for the different transitions. If you run the code in the output the code suggests you and optical length for the linear		This small dephasing is the one that sets the total length of the simulation, because the el-ph one has different values for the different transitions. If you run the code in the output the code suggests you and optical length for the linear

Wikiadmin: /* Using electron-phonon quasi-particles in real-time simulations */

2026-01-25T12:06:32Z

Using electron-phonon quasi-particles in real-time simulations

← Older revision		Revision as of 14:06, 25 January 2026
Line 276:		Line 276:
	after the you can analize results with the command <code>ypp_nl -u</code> or using YamboPy.Hereafter we plot the final result vs the linear reponse one:		after the you can analize results with the command <code>ypp_nl -u</code> or using YamboPy.Hereafter we plot the final result vs the linear reponse one:

	[[File:Rt_vs_lr_finite_T.png\|center\|~~400px~~]]		[[File:Rt_vs_lr_finite_T.png\|center\|800px]]

	== Phonon-assisted density of states ==		== Phonon-assisted density of states ==

Wikiadmin: /* Using electron-phonon quasi-particles in real-time simulations */

2026-01-25T12:05:57Z

Using electron-phonon quasi-particles in real-time simulations

← Older revision		Revision as of 14:05, 25 January 2026
Line 270:		Line 270:
	reponse, for the non-linear one see. Running the code, it will print in output information of the life-time read from the <code>ndb.QP</code> database:		reponse, for the non-linear one see. Running the code, it will print in output information of the life-time read from the <code>ndb.QP</code> database:

			<---> Minimum damping detected: 0.001568 [eV]
			<---> Maximum damping detected: 1.704498 [eV]
			<---> Suggest simulation length: 131.6424 [fs]

			after the you can analize results with the command <code>ypp_nl -u</code> or using YamboPy.Hereafter we plot the final result vs the linear reponse one:

			[[File:Rt_vs_lr_finite_T.png\|center\|400px]]

	== Phonon-assisted density of states ==		== Phonon-assisted density of states ==