WARNING in nl calculations

[sdwang]

Dear all,
I am running nl with Lumen2.0.1 and found warning message in the report file as:
[WARNING] Variables Field1_Freq and Field1_NFreqs ignored

Code: Select all

[05] NL Initialization
 ======================

 [NL] Non-linear optics configuration
 [NL] Loop on frequencies/angles of the first field

 [WARNING] Variables Field1_Freq and Field1_NFreqs ignored
 Radiative life-time sets equal to the phase lifetime: 6.582119 fs
 Total simulation time       :  80.00000 [fs]
 Simulation time step        :  0.010000 [fs]
 Correlation in the reponse functions: SEX
 COLLISIONS in single precisions
 COLLISIONS cutoff  0.500000E-3
 Number of G-vectors in Hartree   : 2505

And my input file is:

Code: Select all

...
% NLBands
    31 |  40 |                       # [NL] Bands range
%
NLverbosity= "high"              # [NL] Verbosity level (low | high)
NLstep= 0.010000           fs    # [NL] Time step length
NLtime= 80.000000           fs    # [NL] Simulation Time
NLintegrator= "CRANKNIC"           # [NL] Integrator ("EULEREXP/RK2/RK4/RK2EXP/HEUN/INVINT/CRANKNIC")
NLCorrelation= "SEX"             # [NL] Correlation ("IPA/HARTREE/TDDFT/LRC/LRW/JGM/SEX/LSEX/LHF")
NLLrcAlpha= 0.000000             # [NL] Long Range Correction
#TestOSCLL                     # [NL] Test Oscillators vs Full Collisions [for testing purposes]
#NoUseSymm                     # [NL] Do not use residual-symms for polar/current (def false)
% NLEnRange
0.500000 |10.000000 |         eV    # [NL] Energy range (for loop on frequencies NLEnSteps/=0
%
NLEnSteps= 80                      # [NL] Energy steps for the loop on frequencies
% NLrotaxis
 0.000000 | 0.000000 | 0.000000 |        # [NL] Rotation axis (for the loop on angles NLAngSteps/=0)
%
NLAngSteps=0                     # [NL] Angular steps (if NLAngSteps/=0 field versor will be ignored)
NLMaxAng= 360.0000               # [NL] Max angle in degree (default 360 degree)
NLDamping= 0.200000        eV    # [NL] Damping (or dephasing)
RADLifeTime=-1.000000      fs    # [RT] Radiative life-time (if negative RADLifeTime=Phase_LifeTime)
#UseDipoles                    # [NL] Use Covariant Dipoles (just for test purpose)
#FrSndOrd                      # [NL] Force second order in Covariant Dipoles
#NoComprCOLL                   # [NL] Load collisions in double-precision and do not remove small elements (default false)
COLLCut= 0.500000E-3             # [SC,RT] Cutoff on the collisions, 0=full 1=none (default =0.0005)
EvalCurrent                   # [NL] Evaluate the current
#InducedField                  # [RT] Include induced field in coupling and current
Gauge= "length"                  # [BSE/X] Gauge (length|velocity)
HARRLvcs=  3064           mHa    # [HA] Hartree     RL components
EXXRLvcs=  3064           mHa    # [XX] Exchange    RL components
CORRLvcs=  3064           mHa    # [GW] Correlation RL components
Field1_Freq= 0.100000      eV    # [RT Field1] Frequency
Field1_Int=  1000.00       kWLm2 # [RT Field1] Intensity
Field1_Width= 0.000000     fs    # [RT Field1] Width
Field1_Chirp= 0.000000     fs    # [RT Field1] Width
Field1_FWHM= 2.000000      fs    # [RT Field1] Full Width at Half Maximum (overwrite width if set)
Field1_kind= "SOFTSIN"           # [RT Field1] Kind(SIN|COS|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_Tstart= 0.010000    fs    # [RT Field1] Initial Time
...

What the warning coudl be?

Thanks!

Shudong

[claudio]

Dear Shudong

do not worry this warning message is not important.
The fact is that there are two way to specify frequencies. In non-linear optical modes "yambo_nl -u n"
there is a loop on the frequencies, while in the pump and probe mode "yambo_nl -u p" there is a single
frequency specified by the variable "Field_Freq" that is ignored in the non-linear mode.

best
CLaudio