Error in code when running for CONELLIPS target.

Error in code when running for CONELLIPS target.

Pradeep Bhatia (guest) 07 Sep 2017 14:41

Hello, Sir
I am using DDA to calculate the optical properties such as absorption, scattering and extinction for "CONELLIPS" shape (Two -layers). I have no idea about CONELLIPS shape, this type of target geometry is in-built or not. I have only changed the target geometry-(ELLIPSOID to CONELLIPS) and the composition-(40 40 40 60 60 60 = shape parameters 1 - 6) and run the code for two different materials. After that, i got the error as given below:
Error: FATAL ERROR IN PROCEDURE: TARCEL
AX < BX
EXECUTION ABORTED

draine (guest) 07 Sep 2017 15:45

As per the UserGuide, the first three shape parameters are the lengths/d of the *outer* ellipsoid,and shape parameters 4,5,6 are the lengths/d of the *inner* ellipsoid.
Shape parameter 1 should be *larger* than parameter 4, parameter 2 larger than parameter 5, and parameter 3 larger than parameter 6.
Hence if you wish to do concentric spheres, you could set shape parameters 1-6 to
60 60 60 40 40 40

Pradeep Bhatia (guest) 15 Feb 2018 16:41

Daer Sir,
I have one more problem regarding the core-shell calculations, when we define the outer and inner size e.g. 21 21 21 20 20 20, it means that, there is 1 nm shell thickness with core size 20 nm. while we defining such parameter, these parameters also defining the dipole, So for this condition, the number of dipoles must be 10 ^ 4. But in our above considered case, the dipoles are very less ( 4 x 10 ^ 3) . therefore, i want to know that how we can define the relevance dipoles ?
I am waiting yours fruitful discussion.
I wish you ll reply as soon as possible.
Thanking You

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saroj bala (guest) 19 Dec 2017 10:40

sir,
I am using DDSCAT 7.3 code in LINUX and facing problem for calculating absorption cross section for core- shell nanorods. Please help me how i calculate effective radii , and also tell how shape parameter and effective radii are correlated with each other.

Re: Error in code when running for CONELLIPS target.

shweta bhardwaj 09 Feb 2018 18:15

Dear Sir,
I ran the calculation for Q_scat values for conellips using 70 70 70 30 30 30 shape parameters. The calculation executed with normal termination but no Q_scat or Q_ext values were shown in qtable file.
Moreoever, I am not much clear about the shape parameters. I mean, in my calculations, how to decide the thickness of core and mantle in conellips?

Thanks in advance,

Re: Error in code when running for CONELLIPS target.

draine 15 Feb 2018 18:05

1. specifiying the outer (70d) and inner (30d) diameters obviously determines the thickness of the shell (20d).
2. if ddscat terminated without writing Q values into qtable, then it didn't terminate normally.
I suggest you examine whatever was written to "standard output" to determine the reason for the code terminated.

Pradeep Bhatia (guest) 16 Feb 2018 06:06

Dear Sir,
I have one more problem regarding the core-shell calculations, when we define the outer and inner size e.g. 21 21 21 20 20 20, it means that, there is 1 nm shell thickness with core size 20 nm. while we defining such parameter, these parameters also defining the dipole, So for this condition, the number of dipoles must be 10 ^ 4. But in our above considered case, the dipoles are very less ( 4 x 10 ^ 3) . therefore, i want to know that how we can define the relevance dipoles and effective size (radius) ?
I am waiting yours fruitful discussion.
I wish you ll reply as soon as possible.
Thanking You

draine 16 Feb 2018 16:49

The ddscat.par parameters 21 21 21 20 20 20 specify a target with outer sphere diameter 21d and inner diameter 20d (*not* 21nm and 20nm unless you happen to have d=1nm). A sphere with diameter 21d has N approx (4*pi/3)*(10.5)^3 approx 4800 dipoles. The shell thickness would be 10.5d-10d=0.5d.

The effective radius aeff (in physical units) is specified on a separate line of ddscat.par . The physical size of
d is then fixed by N*d^3=(4*pi/3)aeff^3 , where N is the total number of non-vacuum dipoles.

Please consult the UserGuide for further details.

Pradeep Bhatia (guest) 19 Feb 2018 12:12

in our case, shell thickness is 0.5d and number of dipoles ~ 4840 dipoles. We took the d ~ 2 , when setting the physical size i.e. N*d^3 = (4*pi/3)aeff^3. after putting the N = 4840 dipoles and d ~ 2 and the we find out the affective radius i.e. ~ 20 nm. So in case shell thickness will be 0.5*2 = 1 nm.
Sir, am i right ?
Thanking You.

Tadele (guest) 27 Mar 2018 10:27

Dear sir,

I am planning to do so many calculations using ddscat7.3.2, but it seems I am having a problem from the beginning.

I am using UBUNTU and I have followed the steps stated in the user guide from downloading the source code (section 5) to running the program (subsection 10.1) but I suspect that I am missing something. While being in RCTGLPRSM, I have changed the vacume wavelength to " 0.700 0.700 1 'LIN' " and I have created the symbolic link as per the instruction in section 10.1. However, when I perform the calculation using "ddscat >& ddscat.out &" , my terminal goes away (disappears) and I don't see any changes on the values of Q_scat, Q_ext… in the qtable.sav file. In the ddscat.par file

My ddscat.out file says "NO command 'ddscat' found, did you mean:
command 'ddscat' from package 'ptscotch' (universal)
ddscat: command not found "

Thank you,
Tadele