FPLO

Software Category
Version
FPLO-21

FPLO

The FPLO® package is a full-potential local-orbital code to solve the Kohn-Sham equations on a regular lattice or with free boundary conditions (finite systems). Relativistic effects are treated either in a scalar-relativistic or a full  4-component formalism. Available functionals are LSDA, GGA (PBE 96) and LSDA/GGA+U. Orbital polarization correction can be applied.

To use FPLO on the HPC, you need to load the intel environment module:

module load intel

The FPLO library provides the following commands:

/opt/rcc/intel/bin/DEL
/opt/rcc/intel/bin/bandplot2
/opt/rcc/intel/bin/dirac2
/opt/rcc/intel/bin/dirac21.00-61-x86_64
/opt/rcc/intel/bin/faddwei21.00-61-x86_64
/opt/rcc/intel/bin/fconv2
/opt/rcc/intel/bin/fconvdens2
/opt/rcc/intel/bin/fdhva21.00-61-x86_64
/opt/rcc/intel/bin/fdiff
/opt/rcc/intel/bin/fdowngrad.pl
/opt/rcc/intel/bin/fedit2
/opt/rcc/intel/bin/fedit21.00-61-x86_64
/opt/rcc/intel/bin/foptics21.00-61-x86_64
/opt/rcc/intel/bin/fout2in
/opt/rcc/intel/bin/fpiotest
/opt/rcc/intel/bin/fpiotest21.00-61-x86_64
/opt/rcc/intel/bin/fplo2
/opt/rcc/intel/bin/fplo21.00-61-x86_64
/opt/rcc/intel/bin/grBhfat
/opt/rcc/intel/bin/grEB
/opt/rcc/intel/bin/grEBAND
/opt/rcc/intel/bin/grEE
/opt/rcc/intel/bin/grEV
/opt/rcc/intel/bin/grGAP
/opt/rcc/intel/bin/grORBMOM
/opt/rcc/intel/bin/grSITE
/opt/rcc/intel/bin/grSS
/opt/rcc/intel/bin/grTE
/opt/rcc/intel/bin/grTI
/opt/rcc/intel/bin/grTS
/opt/rcc/intel/bin/grepfplo
/opt/rcc/intel/bin/grfo
/opt/rcc/intel/bin/grit
/opt/rcc/intel/bin/grpop
/opt/rcc/intel/bin/killfplo