Compiling "getdos.f" , "kpoints.f" etc. utilities

Message

yilmaz · #1 Post by **yilmaz** » 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

#2 Post by **admin** » Mon Oct 12, 2009 9:13 am

these routines are not necessary for vasp.4.6 anymore, they have been included in the standard code.

butterfly · #3 Post by **butterfly** » Wed Aug 08, 2012 9:11 am

When I compile "getdos.f" with 'ifort'.
Error info is "/tmp/ifortdabzoC.o: In function `MAIN__':
getdos.f:(.text+0x50d): undefined reference to `rdatab_'
getdos.f:(.text+0x1c4e): undefined reference to `densta_'" ".
I checked the vasp.5.lib and didn't found these files.
Any suggestions for this problem?
Thanks in advance....
<span class='smallblacktext'>[ Edited Thu Aug 09 2012, 04:04PM ]</span>