[Wien] Reg: ERROR in comprel: cannot find com.rel

Kondaiah Samudrala konda.physics at gmail.com
Tue Dec 3 14:27:03 CET 2013


Dear all

I am running Spin-orbit band structure calculations for led based
compounds. But I am facing below error after "x spaghetti -so -p"   running

 number of k-points read in case.vector=         101
 here          15 D3h
ERROR in comprel: cannot find com.rel
0.0u 0.0s 0:00.09 88.8% 0+0k 0+1064io 0pf+0w
cut: Command not found.

( Here i dont have any case.irrep files in my folder)


Below I mentioned the used commands

x lapw1 -band -p
x lapwso -band -p
cp case.insp and edited Fermi energy
x irrep -so -p
x spaghetti -so -p

Looking for favorable reply.. Thanks in advance

with regards
S. Appalkondaiah
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