Issues
- 1
Some problems in user-guide
#29 opened by hyh2022 - 3
Kr atom NaN error
#28 opened by kluophysics - 12
One-electron systems give zero energy in DFT
#26 opened by susilehtola - 2
Uninitialized variable in locenergy.f90
#27 opened by susilehtola - 2
Uninitialized variables in Eab2DFT
#2 opened by susilehtola - 4
Mystery interpolation in interpolq.f90
#20 opened by susilehtola - 8
Vectorize sor routine
#25 opened by susilehtola - 2
fpw86 arguments broken
#23 opened by susilehtola - 2
ini parameter in initGauss
#3 opened by susilehtola - 2
Uninitialized variable
#1 opened by susilehtola - 2
ioutmat in writeDisk4dd.f90
#4 opened by susilehtola - 2
Wrong number of arguments for dointerp
#21 opened by susilehtola - 2
gemv arguments incorrect in putin
#22 opened by susilehtola - 2
Index overflow in doSCF
#13 opened by susilehtola