Is there a seperate guide explaining the abbreviations used in files and the function of various files produced by the program?
I have a few clarifications: Kindy let me know the function of each of these files.
1. EVALSV.OUT
2. EVALFV.OUT
3. OCCSV.OUT
4. EVECSV.OUT
5. EVECFV.OUT
6. IDOS.OUT
7. LINENGY.OUT
8. EVALCORE.OUT : What does the "k" in this file stand for?
Thank you.
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The files will be more completely described in the Users' Guide in a future release. The files you listed are as follows:
EVALSV.OUT : A binary file containing the second-variational eigenvalues
EVALFV.OUT : A binary file containing the first-variational eigenvalues
OCCSV.OUT : A binary file containing the second-variational occupancies
EVECSV.OUT : A binary file containing the second-variational eigenvectors
EVECFV.OUT : A binary file containing the first-variational eigenvectors
IDOS.OUT : The interstitial contribution to the total density of states (DOS)
LINENGY.OUT : The linearisation energies for each APW and local orbital and for every atom and species
EVALCORE.OUT : The core eigenvalues, the "k" is a quantum number for the radial Dirac equation (l or l+1)
Cheers,
Kay.
If you would like to refer to this comment somewhere else in this project, copy and paste the following link:
Is there a seperate guide explaining the abbreviations used in files and the function of various files produced by the program?
I have a few clarifications: Kindy let me know the function of each of these files.
1. EVALSV.OUT
2. EVALFV.OUT
3. OCCSV.OUT
4. EVECSV.OUT
5. EVECFV.OUT
6. IDOS.OUT
7. LINENGY.OUT
8. EVALCORE.OUT : What does the "k" in this file stand for?
Thank you.
The files will be more completely described in the Users' Guide in a future release. The files you listed are as follows:
EVALSV.OUT : A binary file containing the second-variational eigenvalues
EVALFV.OUT : A binary file containing the first-variational eigenvalues
OCCSV.OUT : A binary file containing the second-variational occupancies
EVECSV.OUT : A binary file containing the second-variational eigenvectors
EVECFV.OUT : A binary file containing the first-variational eigenvectors
IDOS.OUT : The interstitial contribution to the total density of states (DOS)
LINENGY.OUT : The linearisation energies for each APW and local orbital and for every atom and species
EVALCORE.OUT : The core eigenvalues, the "k" is a quantum number for the radial Dirac equation (l or l+1)
Cheers,
Kay.