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

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yilmaz

Fri Jul 24 2009, 02:02AM

Registered Member #362
Joined Wed Aug 10 2005, 07:56PM
Location: puerto rico
posts 18

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

admin

Mon Oct 12 2009, 09:13AM

posts 2329

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

butterfly

Wed Aug 08 2012, 09:11AM

Registered Member #5201
Joined: Thu Oct 20 2011, 11:50AM
posts 5

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....
[ Edited Thu Aug 09 2012, 04:04PM ]

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