[Wien] Reg: Error while running "x lapwso -band -dn"
Peram sreenivasa reddy
peramsreenivas at gmail.com
Sun Jul 28 14:49:53 CEST 2013
Dear Wien2k,
I want to run spin orbit calculations in magnetic case to
my system (XY2Z2-type, tetragonal).
scf completed successfully. But when i tried to run band i got error. My
commands are..
x lapw1 -band -up
x lapw1 -band -dn
x lapwso -band -up
x lapwso -band -dn
when i entered "x lapwso -band -dn" , I got error like below..
ERROR IN OPENING UNIT: 9
FILENAME:
./4k.vector
STATUS: old FORM:unformatted
OPEN FAILED
0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w
After this i run x irrep -so -up
x irrep -so -dn
x spaghetti -so -up
x spaghetti -so -dn
remaining commands are running without any error.
Finally i got the same band structures for both up and down.
For another compounds also ( which are same XY2Z2-type, tetragonal) I am
getting the same type of error at the same command.*.
*Please give me suggestions..
Thanking you in advance..
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