Dear Dr. Kroeker
I increased the NKP parameter in the param.inc file (NKP = 2), then
rebuild wn_readbands and still the same error in program
Thanks in advance,
Arena
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To get around the error in xcrysden, you need to increase the NKP
parameter in the param.inc file that comes with the parts of SRC_spaghetti
included with xcrysden (xcrysden-1.5.60/F/SRC_spaghetti/param.inc) and
rebuild wn_readbands
--
Dr. Martin Kroeker
1
Error: Label 112 referenced at (1) is never defined
make[1]: *** [wn_readbakgen.o] Error 1
Thanks in advance,
Arena, Moscow
Re: [Wien] maximum number of inequivalent k-points in case.outputkgen
Peter
I attach a few subroutines for SRC_kgen, which have been changed for
larger formats. They should now not produce "***" up to 100 k-points.
The problem is, that for 1 000 000 k-points, you also have to change
wn_readbakgen.f in xcrysden.
(Or you do not change the "6000 format line" in
If you want to correct the display of the table you quoted, you need to
look for a FORMAT that also contains the parentheses around the
fractional coordinates in your example - I think a hot candidate is the
6010FORMAT(1H ,I4,'(',3F10.6,')',I4,' (',3F10.6,')')
in arbmsh.f - indeed this has I4
Dear win2k-user,
I am running wien version 14.2 and have similar problem to that observed in
thread
http://wien.zeus.theochem.tuwien.ac.narkive.com/pXOQN5tX/maximum-number-of-k-points
- the answer does not work for me. I also try to do calculation a Fermi
surface with a very dense k-mesh
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