Merged in bandstrPostProcess (pull request #569)

BandstrPostProcess

Approved-by: Sambit Das
Approved-by: Phani Motamarri

doc/manual/parameters.tex

@@ -2066,7 +2066,7 @@ \subsection{Parameters in section \tt Post-processing Options}
 {\it Default:} false
 
 
-{\it Description:} [Standard] Write bands for every k-point to an outputfile called 'bands.out' in the units of Ha. This can be used after GS (Ground-state) or NSCF (Non-Self consistent field iteration) modes of solve. This option is by default on for NSCF mode of solve. Outputs a file name 'bands.out'. The first line has 3 entries with first one denoting the number of k-points and second entry denoting the number of eigenvalues(bands) for each k-point and third the fermi energy in Ha. Subsequent lines have 4 columns with first column indicating the k-point index, second column indicating band index, third column indicating corresponding eigenvalue and fourth column indicating the corresponding occupation number.
+{\it Description:} [Standard] Write bands for every k-point to an outputfile called 'bands.out' in the units of Ha. This can be used after GS (Ground-state) or NSCF (Non-Self consistent field iteration) modes of solve. If it is set to true, Fermi energy is obtained from "fermiEnergy.out" file, created from previous GS calculation with "SAVE RHO DATA" set to true. Outputs a file name 'bands.out'. The first line has 2 entries with first one denoting the number of k-points and second entry denoting the number of eigenvalues(bands) for each k-point. Subsequent lines have 4 columns with first column indicating the k-point index, second column indicating band index, third column indicating corresponding eigenvalue and fourth column indicating the corresponding occupation number.
 
 
 {\it Possible values:} A boolean value (true or false)
@@ -2242,7 +2242,7 @@ \subsection{Parameters in section \tt SCF Checkpointing and Restart}
 {\it Default:} false
 
 
-{\it Description:} [Standard] Saves charge density and mesh triagulation data for restart, if SOLVER MODE is GS then the save is done every 10 scf iterations, otherwise it is done after each converged scf solve.
+{\it Description:} [Standard] Saves charge density and mesh triagulation data for restart, if SOLVER MODE is GS then the save is done every 10 scf iterations, otherwise it is done after each converged scf solve. If the value is "true", the SOLVER MODE is GS and if the SCF loop converges, an outputfile "fermiEnergy.out" is written that contains the fermi energy in the units of Ha. This Fermi energy is used when "WRITE BANDS" is true.
 
 
 {\it Possible values:} A boolean value (true or false)