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FPLO

A full-potential local-orbital code to solve the Kohn-Sham equations on a regular lattice or with free boundary conditions (finite systems).

Homepage Version(s): 22.00-62

FPLO requires an environment module

In order to use FPLO, you must first load the appropriate environment module: 

module load intel

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.

Using FPLO on RCC Resources#

The FPLO library provides the following commands:

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DEL
dirac22.00-62-x86_64
faddwei22.00-62-x86_64
fconv2
fconvdens2
fdhva22.00-62-x86_64
fdiff
fdowngrad.pl
fedit2
fedit22.00-62-x86_64
foptics22.00-62-x86_64
fout2in
fpiotest
fpiotest22.00-62-x86_64
fplo2
fplo22.00-62-x86_64
grBhfat
grEB
grEBAND
grEE
grEV
grGAP
grORBMOM
grSITE
grSS
grTE
grTI
grTS
grepfplo
grfo
grit
grpop
killfplo