
SCF
1. move to "scf" folder
2. do "mpiexec -n 1 ../../../../bin/phase"
3. after a few seconds, SCF calculation will end.
4. be sure, "nfchgt.data" is generated.

DOS
1. move to "dos" folder
2. do "mpiexec -n 1 ../../../../bin/ekcal"
3. after 10 seconds, DOS calculation will end.
4. be sure, "dos.data" is generated.
5. in order to draw a graph, do
   "../../../../bin/dos.pl dos.data -erange=-13,5 -with_fermi -color"
6. do "evince density_of_states.eps"

BAND
1. move to "band" folder
2. do "mpiexec -n 1 ../../../../bin/ekcal"
3. after 30 seconds, BAND calculation will end.
4. be sure, "nfenergy.data" is generated.
5. in order to draw a graph, do
   "../../../../bin/band.pl nfenergy.data ../../../tools/bandkpt_fcc_xglux.in -erange=-13,5 -with_fermi -color"
6. do "evince band_structure.eps"

RELAX
1. move to "relax" folder
2. do "mpiexec -n 1 ../../../../bin/phase"
3. after a minit, RELAX calculation will end.


How to generate a 'kpoint.data' file
1. do "../../../../bin/band_kpoint.pl ../../../tools/bandkpt_fcc_xglux.in"
