Compiling "getdos.f" , "kpoints.f" etc. utilities
Posted: Fri Jul 24, 2009 2:02 am
The vasp manual has a section
about accurate DOS calculations. ("http://cms.mpi.univie.ac.at/vasp/vasp/node229.html").
where it mensions about some vasp utilies, i.e getdos.f, kpoints.f etc.
which are used when memory is not enough for DOS calculations with large number of kpoints.
has anyone ever could compile these utilities ?
It seem like they need some subrotines from vasp src. but it is not really clear what subrotine from where!!
or is there anyother way to tell vasp to (4.6) to handle kpoints one by one and merge the dos files?
any help is apreciated.
Thanks alot
Yilmaz
about accurate DOS calculations. ("http://cms.mpi.univie.ac.at/vasp/vasp/node229.html").
where it mensions about some vasp utilies, i.e getdos.f, kpoints.f etc.
which are used when memory is not enough for DOS calculations with large number of kpoints.
has anyone ever could compile these utilities ?
It seem like they need some subrotines from vasp src. but it is not really clear what subrotine from where!!
or is there anyother way to tell vasp to (4.6) to handle kpoints one by one and merge the dos files?
any help is apreciated.
Thanks alot
Yilmaz