Home Documentation Using R.I.N.G.S. The outputting system of the R.I.N.G.S. code - The new 'sq' directory

The outputting system of the R.I.N.G.S. code - The new 'sq' directory

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Article Index
The outputting system of the R.I.N.G.S. code
The R.I.N.G.S. code global output file
The 'Walltime' output file for calculation times
The new 'gr' directory
The new 'sq' directory
The new 'sk' directory
The new 'msd' directory
The new 'bonds' directory
The new 'angles' directory
The new 'rstat' directory
The new 'voids' directory
The new 'dx' directory
All Pages
Page 5 of 12

The new "sq" directory:

] ls -lhR sq
sq:
total 960K
-rw-rw-r--. 1 user user-group  54K nov.  13 01:44 all-al-p.agr
-rw-rw-r--. 1 user user-group  49K nov.  13 01:44 all-al-p.dat
-rw-rw-r--. 1 user user-group  72K nov.  13 01:44 all-bt-p.agr
-rw-rw-r--. 1 user user-group  50K nov.  13 01:44 all-bt-p.dat
-rw-rw-r--. 1 user user-group  54K nov.  13 01:44 all-fz-p.agr
-rw-rw-r--. 1 user user-group  49K nov.  13 01:44 all-fz-p.dat
drwxrwxr-x. 2 user user-group 4,0K nov.  12 01:11 al-p
drwxrwxr-x. 2 user user-group 4,0K nov.  12 01:11 bt-p
-rw-rw-r--. 1 user user-group 6,6K nov.  13 01:44 Dr-neutrons.agr
-rw-rw-r--. 1 user user-group 6,7K nov.  13 01:44 Dr-neutrons.dat
-rw-rw-r--. 1 user user-group 6,6K nov.  13 01:44 Dr-xrays.agr
-rw-rw-r--. 1 user user-group 6,7K nov.  13 01:44 Dr-xrays.dat
-rw-rw-r--. 1 user user-group  51K nov.  13 01:44 Evol-gr-neutrons.dat
-rw-rw-r--. 1 user user-group  51K nov.  13 01:44 Evol-gr-xrays.dat
-rw-rw-r--. 1 user user-group 127K nov.  13 01:44 Evol-Sq-neutrons.dat
-rw-rw-r--. 1 user user-group 127K nov.  13 01:44 Evol-Sq-xrays.dat
drwxrwxr-x. 2 user user-group 4,0K nov.  12 01:11 fz-p
-rw-rw-r--. 1 user user-group 6,6K nov.  13 01:44 gr-neutrons.agr
-rw-rw-r--. 1 user user-group 6,6K nov.  13 01:44 Gr-neutrons.agr
-rw-rw-r--. 1 user user-group 6,1K nov.  13 01:44 gr-neutrons.dat
-rw-rw-r--. 1 user user-group 6,1K nov.  13 01:44 Gr-neutrons.dat
-rw-rw-r--. 1 user user-group 6,6K nov.  13 01:44 gr-xrays.agr
-rw-rw-r--. 1 user user-group 6,6K nov.  13 01:44 Gr-xrays.agr
-rw-rw-r--. 1 user user-group 6,1K nov.  13 01:44 gr-xrays.dat
-rw-rw-r--. 1 user user-group 6,1K nov.  13 01:44 Gr-xrays.dat
-rw-rw-r--. 1 user user-group  19K nov.  13 01:44 sq-neutrons.agr
-rw-rw-r--. 1 user user-group  18K nov.  13 01:44 sq-neutrons.dat
-rw-rw-r--. 1 user user-group  19K nov.  13 01:44 sq-xrays.agr
-rw-rw-r--. 1 user user-group  18K nov.  13 01:44 sq-xrays.dat
-rw-rw-r--. 1 user user-group 6,6K nov.  13 01:44 Tr-neutrons.agr
-rw-rw-r--. 1 user user-group 6,7K nov.  13 01:44 Tr-neutrons.dat
-rw-rw-r--. 1 user user-group 6,6K nov.  13 01:44 Tr-xrays.agr
-rw-rw-r--. 1 user user-group 6,7K nov.  13 01:44 Tr-xrays.dat

sq/al-p:
total 160K
-rw-rw-r--. 1 user user-group 19K nov.  13 01:44 al_Ge_Ge.agr
-rw-rw-r--. 1 user user-group 18K nov.  13 01:44 al_Ge_Ge.dat
-rw-rw-r--. 1 user user-group 19K nov.  13 01:44 al_Ge_S.agr
-rw-rw-r--. 1 user user-group 18K nov.  13 01:44 al_Ge_S.dat
-rw-rw-r--. 1 user user-group 19K nov.  13 01:44 al_S_Ge.agr
-rw-rw-r--. 1 user user-group 18K nov.  13 01:44 al_S_Ge.dat
-rw-rw-r--. 1 user user-group 19K nov.  13 01:44 al_S_S.agr
-rw-rw-r--. 1 user user-group 18K nov.  13 01:44 al_S_S.dat

sq/bt-p:
total 160K
-rw-rw-r--. 1 user user-group 19K nov.  13 01:44 bt_CC.agr
-rw-rw-r--. 1 user user-group 18K nov.  13 01:44 bt_CC.dat
-rw-rw-r--. 1 user user-group 19K nov.  13 01:44 bt_NC.agr
-rw-rw-r--. 1 user user-group 18K nov.  13 01:44 bt_NC.dat
-rw-rw-r--. 1 user user-group 19K nov.  13 01:44 bt_NN.agr
-rw-rw-r--. 1 user user-group 18K nov.  13 01:44 bt_NN.dat
-rw-rw-r--. 1 user user-group 19K nov.  13 01:44 bt_ZZ.agr
-rw-rw-r--. 1 user user-group 18K nov.  13 01:44 bt_ZZ.dat

sq/fz-p:
total 160K
-rw-rw-r--. 1 user user-group 19K nov.  13 01:44 fz_Ge_Ge.agr
-rw-rw-r--. 1 user user-group 18K nov.  13 01:44 fz_Ge_Ge.dat
-rw-rw-r--. 1 user user-group 19K nov.  13 01:44 fz_Ge_S.agr
-rw-rw-r--. 1 user user-group 18K nov.  13 01:44 fz_Ge_S.dat
-rw-rw-r--. 1 user user-group 19K nov.  13 01:44 fz_S_Ge.agr
-rw-rw-r--. 1 user user-group 18K nov.  13 01:44 fz_S_Ge.dat
-rw-rw-r--. 1 user user-group 19K nov.  13 01:44 fz_S_S.agr
-rw-rw-r--. 1 user user-group 18K nov.  13 01:44 fz_S_S.dat
Structure factor from the fast Fourier transform of the g(r):
  • Dr-*.dat / Dr-*.agr :D(r) total scattering weighted function (both for X-rays and neutrons)
  • Tr-*.dat / Tr-*.agr: T(r) total scattering weighted function (both for X-rays and neutrons)
  • Gr-*.dat / G-*.agr : G(r) total scattering weighted function (both for X-rays and neutrons)
  • gr-*.dat / g-*.agr : g(r) total scattering weighted function (both for X-rays and neutrons)
  • sq-*.dat / sq-*.agr: total structure factor S(q) (both for X-rays and neutrons)
  • all-al-p.dat / all-al-p.agr: all the partial Ashcroft-Langreth Sab(q) structure factors
  • all-al-p.dat / all-fz-p.agr: all the partial Faber-Ziman Sab(q) structure factors
  • all-al-p.dat / all-bt-p.agr: all the partial Bhatia-Thornton Sab(q) structure factors *
  • The directory 'sq/al-p' contains all the partial Ashcroft-Langreth Sab(q) structure factors in separate files
  • The directory 'sq/fz-p' contains all the partial Faber-Ziman Sab(q) structure factors in separate files
  • The directory 'sq/bt-p' contains all the partial Bhatia-Thornton Sab(q) structure factors in separate files *
* Only if the system under study is composed of 2 chemical species.
  • Evol-* : Evaluation and output of some properties for each step of the simulation - only present if the "Evol" options is activated in the options file.

 



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Last Updated on Tuesday, 10 July 2012 03:06  

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