
WIEN2k
 Referenced in 44 articles
[sw04975]
 calculations of solids using density functional theory (DFT). It is based on the fullpotential ... most accurate schemes for band structure calculations. WIEN2k is an allelectron scheme including relativistic...

WIEN97
 Referenced in 10 articles
[sw14850]
 WIEN97, A full potential linearized augmented plane wave package for calculating crystal properties. WIEN97. This ... perform electronic structure calculations of solids using the fullpotential linearizedaugmentedplanewave (LAPW ... most accurate schemes for band structure calculations. It is based on density functional theory...

wienspeedup
 Referenced in 5 articles
[sw14853]
 Improving the efficiency of FPLAPW calculations. Nature of problem: For abinitio studies ... crystals and surfaces. Solution method: The fullpotential linearized augmented plane wave (FPLAPW) method ... well known to enable accurate calculations of the electronic structure and magnetic properties of crystals...

FLEUR
 Referenced in 3 articles
[sw22272]
 code family is a program package for calculating groundstate as well as excitedstate ... solids. It is based on the fullpotential linearized augmentedplanewave (FLAPW) method ... functionals [17,18] and the optimizedeffectivepotential (OEP) method [15,19] have been implemented ... excitations [23]. The Hubbard U can be calculated in the constrained random phase approximation (cRPA...

RSPt
 Referenced in 1 article
[sw07550]
 flexible and can be used to calculate the band structure and total energy ... range of volumes and structures. The FullPotential Linear MuffinTin Orbital (FPLMTO) method ... very small basis sets and fast calculations. Compared to LMTOASA there are no restrictions...

Runwien
 Referenced in 2 articles
[sw08903]
 textbased interface for WIEN2k, the fullpotential linearized augmented planewaves (FPLAPW) program ... generating arbitrarily large sets of calculations. Thus, properties over a potential energy surface and WIEN2k...

FHIaims
 Referenced in 2 articles
[sw26731]
 efficient, accurate allelectron, fullpotential electronic structure code package for computational molecular and materials ... numerical accuracy for all production tasks. Production calculations handle up to several thousand atoms...

FHIgap
 Referenced in 1 article
[sw10804]
 situation can become more severe in GWGW calculations, because pseudowavefunctions are used ... electron GWGW implementation based on the fullpotential linearized augmented planewave plus local orbital (LAPW ... materials, irrespective of their composition. Test calculations demonstrate the convergence behavior of the results with...

critic
 Referenced in 2 articles
[sw00166]
 Critic is a program for the topological analysis...

Maple
 Referenced in 5403 articles
[sw00545]
 The result of over 30 years of cutting...

gnuplot
 Referenced in 70 articles
[sw04188]
 Gnuplot is a portable commandline driven graphing...

SPARC
 Referenced in 6 articles
[sw22290]
 SPARC: accurate and efficient finitedifference formulation and...