the necp-atlas nuclear data processing code, version...

NECP-19-001

The NECP-Atlas Nuclear data processing code,

version 1.2

Nuclear Engineering Computational Physics Lab.

Xi’an Jiaotong University

Contributing Authors

Tiejun Zu

Jialong Xu

Fei Zhao

Yongqiang Tang

Huchao Bi

Current Editor: Jialong Xu

December 27, 2018

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1. Requirement and Installation

1.1 Requirement

NECP-Atlas includes binary executable codes for WINDOWS 7+.

Minimum requirements

The installation of NECP-Atlas code system requires at least 4 GB RAM. The main

frequency of CPU needs to be higher than 2.0 GHz. Also, additional disk space is required to

store output results when running NECP-Atlas code.

Recommended requirements

To achieve better performance of running NECP-Atlas code, 8 GB or more RAM is

recommended. The main frequency of CPU needs to be higher than 3.0 GHz. The requirement

of hard disk space is as same as Minimum requirements.

The executable codes for all platforms were created using MinGW 7.2.0.

1.2 Installation

The binary executable codes and dynamic link libraries (DLL) are included in the

compressed file Atlas.rar.

Uncompressing the file and the installation directory includes files as follows:

1.3 Running the code system

The executable code is Atlas.exe. The input file is atlas.in.

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The executable code and the input file should be put on the same path.

2. Input description

The name of input file should not be changed.

The input file is made up by 2 blocks.

FILE: Names of the files to be processed.

MOD: Processing modules to be used.

Free-form input is handled by the standard Fortran-90 READ. All the blank lines in the

input file will not be read.

Multiple comment cards are allowed and each must start with the three character string

“dash” “dash” “space”(-- ).

Lines can be terminated early with the slash (/) symbol, leaving any variables not

provided at their default values. Whether all input variables are defined in a user’s input record

or not we recommend that every input record be terminated with a slash (/).This assures that

all variables have been read, or assigned their default values, and provides a more robust input

file if future code changes specify additional input variables. In the absence of a slash, Fortran

I/O rules may cause the next input record to be read; an action that is certain to cause the job

to crash.

Real numbers can be entered in a variety of forms; 1, 1., 1.e0, and 1e0 should all be

equivalent.

The standard running procedure of NECP-Atlas is as follows:

1. Reading all the file (ENDF/PENDF/GENDF), which is controlled by the FILE block;

2. Executing the processing module one by one, which is controlled by the MOD block.

2.1 FILE block

In this block, all the file (ENDF/PENDF/GENDF) will be read into the memory.

The input instructions are as follows:

card 1(optional)

path: The path of file (default = ./)

card 2(optional)

gendf: Flag for GENDF reading

gendf_ow_on: Flag for GENDF reading with overwriting same MF-MT data

3

gendf_ow_off: Flag for GENDF reading without overwriting same MF-MT

data

Note: users should only use one flag (“gendf:” or “gendf_ow_on:” or

“gendf_ow_off:”) >

card 3

filename Name of the file

Note: card 1, 2, 3 can be repeated for several times to let NECP-Atlas read several

files for one isotope

Note: FILE block must read the original ENDF file first (e.g. ENDF/B); The block must

end with the key word “exit_file”

Some sample inputs.

Mount the ENDF/B file for 238U. The ENDF/B file is on the same path of NECP-Atlas.

n-092_U_238.endf

exit_file

Mount the PENDF file for 238U. The ENDF/B file is on the path of “D:\ENDFB\”

path:

D:\ENDFB\

U238pendf

exit_file

Mount the GENDF file for 238U. The ENDF/B file is on the path of “D:\GENDF\”

path:

D:\GENDF\

gendf:

U238gendf

exit_file

2.2 MOD block

In this block, the nuclear data will be processed by the modules in NECP-Atlas.

Sample input

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atlas_mod

module_name_1

…

module_name_2

…

module_name_...

…

exit_mod

Note: MOD block must begin with the keyword “atlas_mod”; MOD block must end with the

keyword “exit_mod”

2.2.1 recon_calc

card 1

mat MAT # in ENDF

outp_flag print option

0 - no output

1 - output (default)

card 2

err fractional tolerance used when resonance-integral error

criterion (see errint) is not satisfied (default=0.1%)

tempr reconstruction temperature (deg kelvin) (default=0)

errmax fractional tolerance used when resonance-integral error

criterion is satisfied (errmax.ge.err, default=10*err)

errint maximum resonance-integral error (in barns) per grid point

(default=err/20000)

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2.2.2 broad_calc

card 1

mat MAT # in ENDF

ntemp # of final temperatures (default=1)


0 - no output


card 2

err fractional tolerance used when resonance-integral error

criterion (see errint) is not satisfied (default=0.1%)

thnmax max. energy for broadening and thinning (default=6.5 MeV)

errmax fractional tolerance used when resonance-integral error

criterion is satisfied (errmax.ge.err, default=10*err)

errint maximum resonance-integral error (in barns) per grid point

(default=err/20000)

card 3

temp final temperatures (deg Kelvin)

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2.2.3 unres_calc

card 1

mat MAT # in ENDF


nsig0 # of sigma zeroes (default=1)


0 - no output


option1 unassigned (default=1)

card 2


card 3

sig0 sigma zero values

card 4

method method to calculate fluctuation intrgral

0 - MC2 method (default)

1 - Conjugate gradient method

2 - Integral statistical theory (proposed by Richard N. Hwang)

big_jump maximum energy step of the energy grid (default=1.26)

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2.2.4 table_calc

card 1

mat MAT # in ENDF


nsig0 # of sigma zeroes (default=1)

nbin # of probability bins (default=20)

nladder # of resonance ladders (default=100)


0 - no output




big_jump maximum energy step of the energy grid (default=1.26)

theadnum # of threads for ladder sampling parallelization

card 2


card 3


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2.2.5 therm_calc

card 1

mat_tsl MAT # in TSL

mat MAT # in ENDF

nbin # of probability bins (default=12)



0 - no output


card 2


card 3

emax maximum energy for thermal treatment (default = 4eV)

tol tolerance (default = 0.1%)

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2.2.6 group_calc

card 1

inc_za ZA # of the incident particle (default=1)

cou_za ZA # of the coupled particle (default=1)

iso_num # of isotopes

Note: It should be larger than 2, so the File block needs read the

files of two isotopes at least.


ig_inc incident particle group structure option

ig_cou coupled particle group structure option

iwt wight function option


ntemp # of temperatures

norder Legendre order (default=1)

ncase # of cases(sigma zeroes)

therm_norm flag to normalize flux in thermal range

0 - do not normalize

1 - normalize

--- ig_inc=1 only ---

card 2a

ng_inc # of groups

card 2b

eg_inc ng_inc+1 group breaks (eV)

--- ig_cou=1 only ---

card 3a

ng_cou # of groups

card 3b

eg_cou ng_cou+1 group breaks (eV)

--- iwt =1 only ---

card 4a

wght read weight function as TAB1 record in ENDF-6 format.

--- iwt=4 only ---

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card 5a

eb thermal break (ev)

tb thermal temperature (ev)

ec fission break (ev)

tc fission temperature (ev)

card 6


card 7


card 8

mat MAT # of iso_num isotopes

card 9

res_flag resonance flag

0 – non-resonance isotope

1 – resonance isotope


Note: If iso_num > 1, card 9 will be desired and repeating card 9 for iso_num times.

Note: the default values can be calculated based on the sig0. If the values are

specified, sig0 will be recalculated.

card 10

nfg # of hyper-fine group (default: evaluated by code with

lethargy width equal to 2.55E-5)

ehi_th highest break for thermal range slowing down solver (default

= 100eV)

Note: resonance elastic scattering kernel data should be read.

elo_th lowest break for thermal range slowing down solver (default =

0.1eV)

Note: resonance elastic scattering kernel data should be read.

ehi_wtf highest break for using asymptotic spectrum

card 11

mf MF in ENDF to be processed

mt MT in ENDF to be processed (default=0)

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Note: if mt=0, NECP-Atlas will process all the MT in mf. mf=0/ terminates the

processing.

Note: MF1, MF3, MF4, MF5, MF6, MF9, MF10 are available.

---Options for input variables----------------------------------------------------

ig_inc meaning

-------- ----------

1 arbitrary structure (read in)

2 csewg 239-group structure

3 lanl 30-group structure

4 anl 27-group structure

5 rrd 50-group structure

6 gam-i 68-group structure

7 gam-ii 100-group structure

8 laser-thermos 35-group structure

9 epri-cpm 69-group structure



12 sand-ii 620-group structure


14 eurlib 100-group structure

15 sand-iia 640-group structure

16 vitamin-e 174-group structure

17 vitamin-j 175-group structure

18 xmas 172-group structure

19 ecco 33-group structure

20 ecco 1968-group structure

21 tripoli 315-group structure

22 Santamarina-Hfaiedh 361-group structure

23 Santamarina-Hfaiedh 281-group structure

24 helios 190-group structure (old)

25 helios 112-group structure (old)

26 helios 45-group structure

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27 helios 190-group structure (new)

28 helios 112-group structure (new)

29 helios 47-group structure

ig_cou meaning

-------- ----------

0 none

1 arbitrary structure (read in)

2 csewg 94-group structure


4 steiner 21-group gamma-ray structure

5 straker 22-group structure



8 vitamin-c 36-group structure

9 vitamin-e 38-group structure

10 vitamin-j 42-group structure

iwt meaning

---- ----------

1 read in smooth weight function

2 constant

3 1/e

4 1/e + fission spectrum + thermal maxwellian

5 epri-cell lwr

6 (thermal) -- (1/e) -- (fission + fusion)

7 same with temperature-dep thermal part

8 thermal--1/e--fast reactor--fission + fusion

9 claw weight function

10 claw with t-dependent thermal part

11 vitamin-e weight function (ornl-5505)

12 vitamin-e with t-dep thermal part

13

13 IAEA weight function

14 IAEA weight function (Pa, Th, 233U, 232U)

15 IAEA weight function (2H)

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2.2.7 wims_outp

card 1

iverw wims version

4 - wims-d (default)

5 - wims-e

igroup group option

0 - 69 groups (default)

9 - user’s choice

inatural natual nuclide option

0 - unnatural (default)

1 - natural

--- igroup=9 only ---

card 2a

ngnd # of groups

nfg # of fast groups

nrg # of resonance groups

igref reference group (default is last fast group)

card 3

mat MAT # in ENDF

nfid not used

rdfid identification of material for the wims library

iburn burnup data option

-1 - suppress printout of burnup data

0 - no burnup data is provided (default)

1 - burnup data is provided in cards 5 and 6

card 4

sgref reference sigma zero

ires resonance absorber indicator

0 - no resonance tables

>0 - include resonance tables

sigp potential cross section from ENDF

mti thermal inelastic mt (default = 221)

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mtc thermal elastic mt (default = 222)

ip1opt include p1 matrices

0 - yes

1 - no, correct p0 ingroups (default)

inorf resonance fission (if found)

0 - include resonance fission (default)

1 - do not include

isof fission spectrum

0 - do not include fission spectrum (default)

1 - include fission spectrum

ifprod fission product flag

0 - not a fission product (default)

1 - fission product, no resonance tables

2 - fission product, resonance tables

jp1 transport correction neutron current spectrum flag

0 - use p1-flux for transport correction (default)

>0 - read in jp1 values of the neutron current spectrum from

input

--- the following cards 5 and 6 are for iburn > 0 only ---

card 5

ntis # of time-dependent isotopes

2 - for burnable materials

>2 - for fissile materials when fission product yields are given.

efiss energy released per fission

card 6a

identa ident of capture product isotope

yield yield of product identa from capture

card 6b

identa ident of decay product isotope (zero if stable)

lambda decay constant (s-1)

card 7

lambda resonance-group Goldstein lambdas (13 for default 69-group

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structure, nrg otherwise)

--- jp1>0 only ---

card 8

p1flx current spectrum (jp1 entries read, the rest are set with the

default p1-flux calculated by NECP-Atlas)

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2.2.8 necpx_outp

card 1

mat # of MAT in ENDF

nfid identification of material for the wims library

kinetic kinetic data output option

0 - no output


igroup group option

0 - 69 groups (default, 12 fast groups, 33 resonance groups)

9 - user’s choice

activation activation library option

0 - do not generate activation library

1 – generate activation library

--- igroup=9 only ---

card 1a

ngnd # of groups

nfg_ri # of fast groups

nrg_ri # of resonance groups

ntg_dep last temperature-independent group

igref reference group (default is last fast group)

jp1 transport correction neutron current spectrum flag

0 - use p1-flux for transport correction (default)

>0 - read in jp1 values of the neutron current spectrum from

input

card 2

sgref reference sigma zero

ires resonance absorber indicator (defined by NECP-Atlas)

sigp potential cross section from ENDF (defined by NECP-Atlas)

mti thermal inelastic mt (default=221)

mtc thermal elastic mt (default=222)

ip1opt Legendre order of scattering matrices

Default:

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5 - H

1 - D, O, C

0 - others

true_p0 flag to generate true corrected P0 matrices and transport XS

(default = 1)

0 - generate corrected data

1- do not generate corrected data

true_xtr corrected transport XS option (default = 0)

0 - using 0th order total XS

1 - using 1st order total XS

temp_dep temperature-dependent option for first to ntg_dep group

0 - temperature-independent

1 - temperature-dependent (default)

inorf resonance fission (if found)

0 - include resonance fission (default)

1 - do not include

lamda_dep First lamda_dep Goldstein-Cohen lambdas will be read, the rest

equal to the lamda_dep Goldstein-Cohen lambda

card 3

lambda resonance-group Goldstein lambdas

card 4a

p1flx current spectrum (jp1 entries read, the rest are set with the

default p1-flux calculated by NECP-Atlas)

Note:

For the default group structure option, the default p1flx is

coded.

card 5

message comments by users.

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2.2.9 ace_outp

card 1

iopt Type of ace_outp run option

1 – fast data

2 – thermal data

suff id suffix for zaid (default=.00)

--- fast data (iopt=1 only) ---

card 2


temp temperature desired (kelvin)

--- thermal data (iopt=2 only) ---

card 3


temp temperature desired (kelvin)

zaid_name thermal zaid name ( 6 char max)

atom_types number of atom types in mixed moderator (default=1)

card 4

iza01 moderator component za value (maximum 10)

Iza02 …

card 5

nieb number of inelastic exiting energies (default=16)

emax maximum energy for thermal treatment (ev)(default=4)

iwt weighting option

0/1/2=variable/constant/tabulated (default=0)

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