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					                                 NuShell Instructions
                                 D.S. Judson – University of Liverpool



To Install NuShell

Download NuShell from http://knollhouse.org/page4.aspx (Main Download). Or from my webpage
http://ns.ph.liv.ac.uk/~dsj/NuShell/NuShell_220708.zip

Extract the downloaded “NuShell_install.zip” archive.

Double click on the NuShell installer (“Setup.Exe”).

The NuShell programs will be installed to “C:\Program Files\Rae\NuShell_V6_R1\” by default
(the last number is the version number and may change in later releases).

Create a folder in “My Documents” called “NuShell”.

Copy “login.bat” and “n.bat”* from the install directory (“C:\Program Files\Rae\NuShell_V6_R1\”) to
the “NuShell” directory that has just been created in “My Documents”.

Copy “NuShell Command Prompt” from the extracted “NuShell_install” folder (created from the
downloaded .zip file) to the “NuShell” directory in “My Documents”.

Edit the path of the “NuShell Command Prompt” to point to the “NuShell” folder in “My Documents”
by left clicking on the “NuShell Command Prompt” icon, selecting properties and ensuring that the
“Start in” value is set to "%homepath%\My Documents\NuShell". Ensure that “NuShell Command
Prompt” calls the file “login.bat” when it is clicked by adding the text “/k login.bat” to the target
value (the full target should read “%SystemRoot%\system32\cmd.exe /k login.bat”). The file
“login.bat” ensures that the correct paths are set to the NuShell programs. If NuShell is installed in a
non-standard directory, the login.bat file must be edited accordingly.

A number of NuShell interactions are provided with the NuShell installer. If these are to be used they
must be copied from the install directory to the “NuShell” folder in “My Documents”. If an
interaction distributed with the OXBASH code is to be used, it must be copied to the “NuShell” folder
in “My Documents”. This must then be modified as described below. The model space (.sps) files
from OXBASH are not compatible with NuShell and so new .sps files must be created using the
NuShell program (see Defining the Model Space later in this document). Therefore, there is no need
to copy the OXBASH .sps files.

It is recommended that a new sub-folder within the “NuShell” folder in “My Documents” is created
for each calculation. Note that the interaction and model space files (.sps) must be in the folder from
which the calculation is to be performed.

* Note - Bill Rae assigns the “My Documents/NuShell” folder as a virtual drive (n:/) and uses the file
“n.bat” to set up this however, I seen no real reason to do this as it just makes setting up and
running the code unnecessarily complicated.
Creating an interaction from an OXBASH *.int file

A copy of the OXBASH code including all provided interactions can be found on my page at
http://ns.ph.liv.ac.uk/~dsj/NuShell/oxbash.zip. The interactions are in the folder named ‘sps’. Also in
this folder is a text file called ‘label.dat’ which gives details of the mass region each interaction is
intended for, the sub-shells it encompasses and references to any papers describing the interaction.

To use an OXBASH interaction in NuShell, a small alteration to the file must be made as follows:

Copy the OXBASH interaction file into the “NuShell” folder in “My Documents” or any sub-folder
within the ‘NuShell’ directory.

The first few lines in the OXBASH interaction, demarked with “!” are comments describing the
interaction. These can be preserved but must be preceded by a line defining the mass dependence
of the interaction. The information about any mass dependence of the interaction will be described
in the comments. Read them carefully to ensure that the correct mass dependence is applied to the
interaction in NuShell. If no dependence is described in the comments, the interaction is (probably)
mass independent.

A single line at the beginning of the file specifying “! Ai Ac pwr” MUST be added to account for any
mass dependence, where...

Ai is the mass number for which the interaction was derived. As the interactions are derived from
two body interactions, the Ai value is Ac + 2. E.g. Ai = 18 for sd shell.

Ac is the mass of the “core”. E.g. for the sd shell the core is 16O, Ac = 16.

pwr is the power of the mass dependence. E.g. 0.3.

E.g. The mass dependence of W.int is (16/mass)**0.3. So, for the sd shell the line “! 18 16 0.3”
(without quotation marks) must be added at the beginning of the file to get the correct mass
dependence (the “!” is required and is not used to denote a comment).

If there is no mass dependence e.g. in the Sn region, this line should read
“! 1.0 1.0 0.0” or “! 1.0 1.0 1.0” so that the function (Ac/Ai)**pwr = 1.0.

Any other information describing the interaction and / or any changes made to it can be recorded in
the comments which can follow the mass dependence. Each line of comments must begin with “!”.

Any comments should then be followed by the single particle energies and then the two-body matrix
elements (tbmes). The single particle energies should all be on the same line, separated by a space.
In order to work properly the program requires the initial energy calculation to produce a negative
result, this requires the diagonal nn and pp matrix elements all to be negative. This can be achieved
simply by ensuring that all your single particle energies are negative, or mostly negative. The
problem will show up, if it does show up, as extremely negative or overflowing negative eigenvalues.

Some OXBASH interactions (e.g. SN100PN) are split over 4 files (detailing the neutron-neutron,
proton-proton, proton -neutron and coulomb tbmes). To use these interactions in NuShell, the 4 files
must be combined into one. The proton-proton and proton-neutron tbmes can be copied and
pasted into one file the tbmes from the neutron-neutron interaction must first be multiplied by any
scaling factor and then have the coulomb term added. This can be easily done by opening the
interaction file in Excel and writing a simple macro. Once the neutron-neutron tbmes have been
modified in the above way they can be copied into the proton-proton + proton-neutron tbmes. The
single particle energies for all sub-shells must also be included at the top of the .int file.



Format of the interaction file (*.int) file

! 1.0 1.0 0.0

The first line defines the mass dependence of the interaction. The dependence is calculated as
(Ac+2/Ac)**Power where Ac is the mass of the core and Power is the power to which the mass
division is raised. The format of the first line in the interaction file is thus ! Ac+2 Ac Power.
If the interaction is not mass dependent, the power should be 0.0 to give a mass
dependence of 1. The value of Ac and Ac+2 are then not important (so long as they are not
0).

! 1=P1D3/2 2=P1D5/2 3=P2S1/2 4=N1D3/2 5=N1D5/2 6=N2S1/2

Any line following the mass dependence which begins with an exclamation mark is a comment and
can be used to describe the interaction. This is not read by the program.

 218 1.64658 -3.94780 -3.16354 1.64658 -3.94780 -3.16354

The first number of the next line is simply the number of matrix elements in the interaction file. The
following lines are the single particle energies of the orbitals involved in the interaction. There
should be the same number of single particle energies as are defined in the model space (*.sps) file.
The energies correspond to the orbitals in the order that they are defined in the models space file.
Note taken from the NuShell website - In order to work properly the Lanczos routines require the
initial energy calculation to produce a negative result. Since the initial vector is just a random vector
this requires the diagonal nn and pp matrix elements all to be negative. This can be achieved simply
by ensuring that all your single particle energies are negative, or mostly negative. The problem will
show up, if it does show up, as extemely negative, or overflowing negative eigenvalues. Subtracting a
constant value Esp from each of your single particle energies will solve this problem. Your new
eigenvalues Enew will be equal to your original eigenvalues Eorg - N x Esp = Enew, where N is the
total number of nucleons, protons and neutrons. So Eorg = Enew + N x Esp.

 1 1 1 1 0 1 -2.18450

 1 1 1 1 2 1 -0.06650

 2 1 1 1 2 1 -0.61490

 2 1 2 1 1 1 1.03340

 2 1 2 1 2 1 -0.32480

 2 1 2 1 3 1 0.58940
 2 1 2 1 4 1 -1.44970

 2 1 3 1 1 1 0.18740

 2 1 3 1 2 1 -0.52470

 2 2 1 1 0 1 -3.18560

 ... (Truncated for brevity)

 3 6 3 4 1 0 1.25010

 3 6 1 6 1 0 -1.25010

 3 6 3 6 0 1 -2.12460

 3 6 3 6 1 0 -3.26280

The rest of the line are the list of matrix elements in the form I1, I2, I3, I4, J, T, TBME where I is the
orbit index number. E.g. I = 1 indicates the first orbital defined in the model space (*.sps) file. J and T
are the spin and isospin and TBME are the Two Body Matrix Elements <I1,I2,J,T| V|I3,I4,J,T>.



Starting the application

Double click on the “NuShell Command Prompt” icon in the “NuShell” directory.

If you have followed the installation instructions correctly the file “login.bat” will automatically be
run when the command prompt is opened and a command beginning “set path= ...” will be
displayed. If this does not occur type “login” to run the “login.bat” batch file which sets up the paths
to the executables. (The file “login.bat” must be in the “NuShell” folder.)

The NuShell Command Prompt is just a simple MS DOS window and so standard DOS commands can
be used here. E.g. ‘cd’ to change directory, ‘dir’ to list the content of the directory, ‘md’ to create a
new directory, ‘copy’ to copy a file, ‘del’ to delete a file etc. If the file association has been defined
(I.e. windows knows what program to use to open a file of a given type) then a file can be opened
simply by typing the file name into the command prompt.

Type “nushell help” to start the application with the help messages enabled. The messages are
displayed as the program is used and give the user more information about the information that is
required at each stage of the calculation. Once the user is familiar with the application, the
command “nushell” can be used to start the application without the help messages. The program
then asks a series of simple questions about the calculation to be performed and, once it has the
required information, performs the calculation. Details of the necessary inputs and outputs are given
below.
Using the application

Defining the Model Space

The first thing that must be done before a calculation can be performed is to create the .sps file. This
file defines the model space used in the calculations and any restrictions that are to be applied to it.
If a number of calculations are to be performed with different restrictions, a new .sps file must be
created for each case. Once a .sps file has been created it is often easier to copy and modify the file
directly (e.g. in notepad) rather than recreating the file for each case. The format of the .sps files is
detailed on the following page.

Start the application and enter option “m” to define the model (space).

The program asks for a name for the .sps file. In the PC version of the program there is (apparently)
no restriction on the length of this name. In the Sun version the name must be six characters long.

The program then asks if the model space is defined in isospin or proton-neutron formalism. This
should be apparent from the interaction file.

Isospin Formalism.

         Enter the total number of sub-shells included in the model space.

Proton-Neutron Formalism

         Enter the total number of sub-shells.

         Enter the number of proton sub-shells.



Enter the details of the sub-shells in the order that they are specified in the OXBASH interaction file.
This is usually described in the comments at the top of the original OXBASH interaction file. The
program is expecting an input in the form of Nlj e.g. 1d5/2. Note that for the first instance of a
specific l, N = 0. I.e. the first s1/2 sub-shell is entered as “0s1/2”. If this format is not strictly adhered
to, the calculation will fail or give erroneous results.

The program then asks if there are any restrictions to be applied to the model space. There are 3
possible ways to define the restrictions.

    1)   limit the sum over N=2*n+l.
    2)   limit the no of nucleons in any sub-shell.
    3)   limit no of nucleons in any MS (major shell).

The most useful of these is option 2 which allows the occupancy of each orbital to be explicitly
defined. The program simply asks for the minimum and maximum number of nucleons for each sub-
shell in the order that they were defined previously.



The program will then create the .sps file which is detailed overleaf.
6

        -   The first line defines the total number of sub-shells included in the model space.

    pppnnn

        -   The next line specifies which of the sub-shells is a proton sub-shell and which is a neutron
            sub-shell (pn formalism). This line will be “iiiiii” if the interaction is in isospin formalism. The
            number of character should be consistent with the number of sub-shells defined above.

    2   0   2   3   0   1
    2   0   2   5   0   1
    2   1   0   1   0   1
    2   0   2   3   0   1
    2   0   2   5   0   1
    2   1   0   1   0   1

        -   Next follows a series of numbers that define the sub-shells included in the model space. There
            will be one line of numbers for each sub-shell. From left to right in each line, the first number
            is the number of the major shell. The second number is the value of N, (0 for the first, 1 for
            the second etc). The third number is the l value. The fourth number is 2*J. The fifth number is
            related to isospin. The sixth number is the parity of the sub-shell (1 = positive parity, -1 =
            negative parity). The first line above therefore defines the 0d3/2 sub-shell.

    0 999

        -   This signifies the end of the model space definition and the beginning of the restrictions. The
            restrictions are defined as follows...

    1 0 0 2 0 0
    2 4 2 4 4 2

        -   Here each column corresponds to a specific sub-shell. The first column corresponds to the
            first sub-shell defined in the model space above etc. The first line defined the minimum
            number of nucleons that are allowed to occupy that sub-shell at any given time. The second
            line defines the maximum number of nuclei that are able to occupy that orbital. In this
            example the first column defines that there must be between 1 and 2 nucleons in the first
            (0d3/2) sub-shell. If no restrictions are to be applied the minimum value of 0 and a maximum
            value of 99 will be used. The occupation of the sub-shells will then be determined as allowed
            by the Pauli Exclusion Principle.

    0   0 0 0 0 0
    99 99 99 99 99 99
      - These two lines have the same syntax as the above two lines but define the minimum and
         maximum number of nuclei in each major shell. In this case there are no restrictions.


0           - This defines the end of the file.
It is usually easier to define the model space initially with no restrictions and then edit the *.sps file
manually to add and / or modify the restrictions.

Calculating level energies

It is recommended that new subfolders are created within the “NuShell” folder for each set of
calculations. Each subfolder must contain a copy of the interaction (.int) and model space (.sps)
files. Subfolders can be created using the “md” command in the NuShell command prompt window
or by using Windows Explorer in the usual way. The “cd” command is then used in the NuShell
command prompt window to navigate to the required subfolder.

Start NuShell and run the “login.bat” file, if this is not done automatically.

Select option “L” for levels (only if the corresponding *.sps has been created, otherwise use option
“M” and follow the instructions give in the section titled Defining the Model Space.)

The program then asks for the name of the nucleus. This can be any name. It is used to name the
outputted files. In the PC version there is no limit on the file names but in the Sun version this must
be six characters long.

The program then asks for an interaction code. This is a single character that is used to identify the
interaction used. Again it can be any character and is used to identify the outputted files. If more
than one character is entered, the first one will be used. Generally it is advisable to use different
names for the nucleus or interaction codes for positive and negative parity calculations as the
program does not distinguish between them automatically and this can lead to data being
overwritten if the same name and character is used for both. Personally, I recommend using the
nuclear species for the name of the nucleus (E.g. 160Re) and interaction code ‘p’ for positive parity
and ‘n’ for negative parity. A separate sub folder should then be used for each calculation if a
number of calculations are to be performed for the same nucleus (E.g. using different interactions /
model spaces / single particle energies etc.).

The program then asks for the name of the model space to be used. The model space file (.sps) must
be located in the current directory. If the .sps file is not found, the program will fail. The Sun version
of NuShell requires that the .sps file name be 6 characters long.

The program then asks for the number of protons and neutrons respectively if the interaction is
defined in neutron-proton formalism or the total number of valence nuclei if the interaction is
defined in isospin formalism. The program requires the number of valence particles outside of the
closed core. I.e. only the number of nucleons to include in the model space, not the total.

The program then asks for the name of the interaction file to be used. This file (.int) must be located
in the current directory. If the .int file is not found, the program will fail. On the PC there is no limit
on the file name but for the Sun version the file name must be 7 characters long.

The program then asks for the minimum and maximum 2*J values. These must be integers. Odd for
odd-A nuclei and even for even-A nuclei.

If the interaction is defined in isospin formalism, the program will then ask for the minimum and
maximum 2*T values. This is used to specify the ratio of neutron to protons. For example if there is a
total of 4 valence particles and the 2*T value is specified as 4, this indicates that all the particles are
of the same type (4p or 4n). A Value of 2*T = 0 indicates that there are 2n and 2p. A value of 2*T = 2
indicates that there are 3 nucleons of one type and 1 of the other. The 2*T values entered must be
positive. Due to symmetry arguments, there is no difference between a calculation of x*n and z*p
and z*n and x*p. I.e. mirror pair are treated identically.

The program then asks for the parity of the levels. A value of 1 relates to positive parity and -1 to
negative parity. If both positive and negative parity is required, two separate calculations must be
performed. It is important that the declared names of the nucleus or the interaction codes are
different in the positive and negative parity calculations or else the first set of results will be
overwritten by the second.

The program then asks for the number of levels to be calculated. This is the number of levels of each
spin.

The program then gives the option to delete all existing .lev files. These are simple text files which
specify the name and J and T values to be calculated and give absolute level energies. These files are
used by the program to create a postscript image of the level scheme. If the files are not deleted, the
results of any previous calculations will be included in this postscript file. This is useful if states of
both positive and negative parity are to be shown on the same diagram but can cause confusion if
different calculations are being performed in the same directory. For this reason it is advisable to use
different directories for each calculation (unless changing only the parity).

The calculation is then performed.

The resultant excitation energies are given in a *.eps file named with the nucleus name entered
earlier.

The configurations and absolute energies are given in .lp files. The name of these files is constructed
from the nucleus name, spin and interaction code entered previously.



The .lp files are in the following format.

    -   First there is a header which records which version of NuShell was used for the calculation
        and gives details of the author.

NuShell V6.0 R1.000
W.D.M. Rae, Garsington, Oxford 2007
Based on NuShell code by W.D.M. Rae, Garsington, Oxford, UK, 2006/7

    -   Then the name of the nucleus and the model code as entered by the user are given.

 20Nep           - Name = 20Ne, interaction code = p.

    -   There then follows more details of the program itself.

 SunShell is a nuclear shell model program
 Written in Fortran95 for Solaris x86/Sun            – it say this in the Windows version too.
 It is based on NuShell by W D M Rae 2007

    -   The following line details the spin and isospin of the states being calculated.

 2*J, 2*T         4     0

    -   The absolute energy of the lowest state of the above spin is then given along with the parity.

Lowest Energy Levels

Level 1 E= -1.282 MeV Parity +

    -   The wave function of this state is then given.

98.493 % Partition 1 1 0 2 0 0
 1.416 % Partition 1 0 1 2 0 0

    -   Here the first number (%) gives the amount that that particular configuration contributes to
        the total wavefunction of the state. The following numbers represent the total number of
        nucleons in a given sub-shell. The order of the sub-shells is as defined in the .sps file and
        interaction files. In the above example the first line indicates that there is 1 proton in the
        0d3/2 orbital, 1 proton in the 0d5/2 orbital, 0 protons in the 1s1/2 orbital, 2 neutrons in the
        0d3/2 orbital, 0 neutrons in the 0d5/2 orbital and 0 neutrons in the 1s1/2 orbital and that
        this configuration contributes 98.5% to the total wavefuntion of the state.

Average n 1.001 0.985 0.014 2.000 0.000 0.000

    -   The above line gives the total average occupancy of the sub-shells for the state.

Norm, total %, total n 1.000000         100.0000      4.000000

    -   As configurations that contribute less than 1% are not shown, the final line gives details of
        how much the described wavefunctions contribute to the total wavefunction.

This information is then repeated for each of the states calculated of a given spin in order of
increasing energy.

Various other files are also created which are used by the different elements of the code. These files
can be large (several Gb) and so it is practical to delete these once the calculations have been
completed. It should be noted that no files should be deleted before any transition probabilities are
calculated as a number of files created during the calculation of the level energies and configurations
are required for this. If the transition probabilities have been calculated or are not required it is safe
to delete all but the .lp and .eps files, although it is often useful to retain the .int and .sps files so that
the details of the calculation can be recalled at a later date.

The file SetNuShell.bat gives details of the size of the matrix that is diagonalised in the calculation
and can be used to estimate how long the calculation should take and / or if it is possible at all.
A batch file is available to clean all the unnecessary files created during the calculation. This is
available at http://ns.ph.liv.ac.uk/~dsj/NuShell/clean.bat. This should be copied to the NuShell
installation directory at ‘C:\Program Files\Rae\NuShell_V6_R1’ and is run from the NuShell
command prompt by typing ‘clean’

Calculation Transition Probabilities

Start NuShell (and run login.bat if this is not run automatically).

Calculate level energies for required states using option “L” as described above. If calculating the
transition rate for a parity changing operator, the level energies and configurations of both positive
and negative parity states must be in the same sub-folder. Do not delete any of the files created
during the energy calculations.

Enter option T to calculate transition probabilities.

Enter the name of the model space (.sps) file. This file must be located in the current directory or the
program will fail. This must be 6 characters long if using the Sun version.

Enter the name of the nucleus (as specified when calculating the level energies) for the initial state.

Enter the interaction code (as specified when calculating the level energies) for the initial state.

Enter the initial and final 2*J values of the initial state.

Enter the initial and final 2*T values of the initial state. (If unsure, this can be found from the .lp files)

Enter the name of the nucleus (as specified when calculating the level energies) for the final state.

Enter the interaction code (as specified when calculating the level energies) for the final state.

Enter the initial and final 2*J values of the final state.

Enter the initial and final 2*T values of the final state. (If unsure, this can be found from the .lp files)

Enter a name for the output file. This can be anything you like on the PC version but must be 7
characters long if using the Sun version.

Three options will then be presented. OBTD, Single a+ or Two Particle a+a+ Transfer. For gamma
decay select option O (OBTD).

Enter the operator minimum and maximum 2*J E.g. 4 for an E2 or M2 transition.

Enter the A and Z of the nucleus.

Enter the effective charges and g-factors. The default values are ep=1.5, en=0.5, glp=1.0, gln=0.0,
gsp=5.586, gsn=-3.826. To use these default value enter 0 0 0 0 0 0. Effective charges are entered as
absolute values. To change the neutron effective charge to 0, a value of 999 must be entered.

Enter the number of initial and final states.
Specify whether to change the radial wavefunction to negative at infinity. In most cases the
wavefunction is positive at infinity. Unless there is reason to change this, enter “no” here.

Specify whether the existing .trs files should be deleted. The calculation will now run.

The results are written to an outputted .lp file named with the filename entered previously.
Transition probabilities are given in units of e^2 fm^2L for and (eh/2mc)^2 fm^(2L-2) for electric and
magnetic transitions respectively.

The format of the file is self explanatory. An example of the outputted file is given below.

        W.D.M. Rae, Garsington, Oxford 2007

        Based on NuShell code by W.D.M. Rae, Garsington, Oxford, UK, 2006/7

        hbarw 10.87675        MeV

        ep,en,glp,gln,gsp,gsn 1.500 0.500 1.000 0.000 5.586 -3.826

        Initial Nucleus 42Ca

        Final Nucleus 42Ca

        Initial 2*J,2*T        0           2

        Final 2*J,2*T         4            2

        Operator 2*J,2*T           4           0       2

        Operator 2*M,2*Tz              4           0       0

        Initial level energy -3.174 MeV

        Final level energy -1.588 MeV

        BE(2) 0.2789E+02 e2 fm4 sign –



Module description.

The NuShell package consists of a number of modules which are controlled from within the NuShell
control program. When running the NuShell application the control program calls the relevant
modules in the necessary arder and passes them the required inputs. This is done automatically with
no requirement for the user to understand the role of each module however it can be usefull to know
what the major modules do in the case of an error being shown when a calculation is performed. A
brief description of the modules used in the energy calculation is given below.

• NuShell is the control module name. This acquires input from you and using a pre-existing .int file
and will produce all the input files required to run a calculation. These include .sps, .nus, .spe, .op,
.oph and .me files. The control module also runs the calculation for you and produces a Shell.bat file
which can be used to rerun the calculation. If you want to keep this file and avoid it being over
written rename it eg ren Shell.bat MyCalc.bat.

• NuBasis is the m-scheme basis module. This makes a list of all possible M-scheme basis states for
the given model space with a given set of restrictions. It requires just one .nus input file. It outputs
files containing the m-scheme vectors and other information files.

• NuProj is the angular momentum projection module. This makes linear combinations of the M-
scheme basis states that have good J values (if defined in p/n formalism) or good J and T values (if
defined in isospin formalism). It requires the same .nus file as NuBasis. It outputs files containing the
J-scheme basis vectors defined in the m-scheme basis, plus other information files.

• NuOper is the program that converts the .int file into an m-scheme operator. It requires an .nus
input file, a single character interaction code, a .int interaction file and either 'np' or 'i' to tell it what
type of .int file it is using. It outputs a .op file and optionally useful text files. Optional output is
controlled by the last entry in the .nus file output control in version 3. In version 4 up to 3 more lines
may follow, the first with two integers, a second with an ASCII file name and a third tied to the
second with two real numbers. The output control is a single integer with value 0 after the last long
row of multiple integers. Edit this line and enter 3 or higher for additional output from all modules.

• NuMatrix is the module that calculates the pp and nn matrices using the J-scheme vectors
expressed in the m-scheme basis. It requires a .nus file and the one character interaction code. It
outputs the pp or nn Hamiltonian matrix in a semi-orthogonal basis. These matrices are stored with
the extension .mtx .

• NuOrth is the module that completes the orthogonalization of the matrix produced by module
NuMatrix. The module requires a .nus file and interaction code. It outputs a fully orthogonalised J-
scheme matrix in a file with extension .mat .

• NuLanczos is the module that diagonalises the orthogonal matrix produced by NuMatrix. This finds
the lowest N eigenvalues and eigenvectors, in the projected basis, for the matrix (where N is the
number of states requested in the control program). The module uses the Lanczos iterative
diagonalisation process of Whitehead et. al. (Adv. Nucl. Phys. 9, 123, 1977). The module requires a
.mtx file and one character interaction code and outputs a matrix of eigenvalues with extension .eig.

• NuMvec follows NuLanczos and produces a list of eigenvectors from which a number of level
energy / wavefunction files are produced. These have the extension .lev and .lp.

• NuPSLevel Reads the .lev files and produces a easy to read energy level diagram with the extension
.eps.

				
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posted:9/30/2011
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