ABINIT Discussion Forums

Dear All,

This is a rather general question but I would like to know if there is an input variable that would print out the source files used for a calculation say for this input file or any arbitrary input file?

toldfe 1.0d-12
nband 30

# number of self-consistent field steps
nstep 2000
#diemac 4.0

# energy cutoff [Ha]:
ecut 100

#Definition of the k-point grid
occopt 4
tsmear 0.01

kptopt 1 # Option for the automatic generation of k points, taking
ngkpt 10 10 10

nshiftk 1
shiftk 0.0 0.0 0.0

istwfk *1
#ixc -012
# Definition of the atom types
znucl 28 8

spinat 0 0 1
0 0 0
nsppol 2
nspden 2
nspinor 1

# Definition of the atoms
#natom 8
#natrd 2
#spgroup 225
natom 2
ntypat 2
typat 1 2
acell 4.1684 4.1684 4.1684 Angstrom
rprim 0.5 0.5 0.0
0.0 0.5 0.5
0.5 0.0 0.5
xred 0.0000 0.0000 0.0000
0.5000 0.5000 0.5000

Thank you for any help provided.

Hi,

If you mean extract the source code of abinit to run the calculation specified by your input, then no.


Cheers

Jordan