Sophie

Sophie

distrib > Fedora > 14 > x86_64 > by-pkgid > 43e31c67ff0a05ccb9655c22e0bb329e > files > 15

ape-1.1.0-2.fc14.x86_64.rpm

# Generalities
Title = "Copper"
CalculationMode = pp
Verbose = 40

# PseudoPotentials
PPScheme = tm

%PPComponents
  4  |  0  | 2.08
  4  |  1  | 2.30
  3  |  2  | 2.08
%

PPCalculationTolerance = 1e-6

PPOutputFileFormat = abinit6

# Wave-equations solver
EigenSolverTolerance = 1e-6
ODEIntTolerance = 1e-7