Problem in generating the output in real time approach

Run-time issues concerning Yambo that are not covered in the above forums.

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Bramhachari Khamari
Posts: 57
Joined: Wed Oct 23, 2019 5:52 am

Problem in generating the output in real time approach

Post by Bramhachari Khamari » Fri Dec 27, 2019 7:37 am

Dear Developers,
I have done a real time calculation of h-BN by following the steps mentioned in real time calculation with BSE. I have reproduced the optical spectrum in linear regime. The I generate the input to study the system by perturbing it with different pulse at optical frequency.

negf # [R] Real-Time dynamics
HXC_Potential= "SEX" # [SC] SC HXC Potential
GfnQPdb= "E < SAVE/ndb.QP" # [EXTQP G] Database
GfnQP_N= 1 # [EXTQP G] Interpolation neighbours
% GfnQP_E
0.000000 | 1.000000 | 1.000000 | # [EXTQP G] E parameters (c/v) eV|adim|adim
%
GfnQP_Z= ( 1.000000 , 0.000000 ) # [EXTQP G] Z factor (c/v)
GfnQP_Wv_E= 0.000000 eV # [EXTQP G] W Energy reference (valence)
% GfnQP_Wv
0.00 | 0.00 | 0.00 | # [EXTQP G] W parameters (valence) eV| 1|eV^-1
%
GfnQP_Wv_dos= 0.000000 eV # [EXTQP G] W dos pre-factor (valence)
GfnQP_Wc_E= 0.000000 eV # [EXTQP G] W Energy reference (conduction)
% GfnQP_Wc
0.00 | 0.00 | 0.00 | # [EXTQP G] W parameters (conduction) eV| 1 |eV^-1
%
GfnQP_Wc_dos= 0.000000 eV # [EXTQP G] W dos pre-factor (conduction)
% RTBands
6 | 10 | # [RT] Bands
%
Integrator= "RK2" # [RT] Integrator. Use keywords space separated ( "EULER/EXPn/INV" "SIMPLE/RK2/RK4/HEUN" "RWA")
PhLifeTime= 5.000000 fs # [RT] Dephasing Time
RTstep=0.500000 fs # [RT] Real Time step length
NETime=100.000000 fs # [RT] Simulation Time
% IOtime
0.50 | 0.50 | 0.50 | fs # [RT] Time between to consecutive I/O (OBSERVABLEs,CARRIERs - GF - OUTPUT)
%
% Field1_Freq
5.07 | 5.07 | eV # [RT Field1] Frequency
%
Field1_Int= 100000.000000 kWLm2 # [RT Field1] Intensity
Field1_Width= 50.000000 fs # [RT Field1] Width
Field1_kind= "QSSIN" # [RT Field1] Kind(SIN|RES|ANTIRES|GAUSS|DELTA|QSSIN)
Field1_pol= "linear" # [RT Field1] Pol(linear|circular)
% Field1_Dir
0.000000 | 1.000000 | 0.000000 | # [RT Field1] Versor
%
% Field1_Dir_circ
0.000000 | 0.000000 | 0.000000 | # [RT Field1] Versor_circ
%
Field1_Tstart= 0.100000fs # [RT Field1] Initial Time

In the input I Otime is set as follows
% IOtime
0.50 | 0.50 | 0.50 | fs # [RT] Time between to consecutive I/O (OBSERVABLEs,CARRIERs - GF - OUTPUT)
%

In the output
---I/O---
T between I/O of OBS [fs]: 0.5000000
I/O of GFs [fs]: 0.5000000
outputs [fs]: 0.5000000

However, In my out file the information about the CARRIERS generated by the applied pulse is missing. Could you help me in this regard.

Thanking you
Bramha
Bramhachari Khamari
Post Doctoral Fellow
Department of Physics
IIT Kanpur, India.

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