I suggest the readings:
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17735.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18243.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16889.html
On 3/18/2019 9:32 PM, Peram sreenivasa reddy wrote:
Dear Wien2k,
I am trying to get the DOS for a system which i included -so and -orb.
My scf calculation successfully completed with "runsp_lapw -so -orb
-ec 0.000001 -p".
I tried "x lapw2 -qtl -so -orb -up -p". It is ended with an error
"ERROR: -qtl and -orb switches are not compatible
Unmatched '.
"
After this i checked "x -h lapw2" as it is showing bellow.
x lapw2 [-c -up/-dn -p -so -orb -qtl -alm -almd -qdmft -fermi -efg -hf
-redklist -band -eece -vresp -in1orig -help_files -emin X -all X Y
-scratch dir ]
It indicates lapw2 will allow -qtl, -so and -orb. Is it correct?
Thank you very much in advance.
Thanking you.
--
/P.V.SREENIVASA REDDY/
/Post Doctoral Research Fellow/
/Department of Physics, /
/Physics Building 2,/
/NCKU, Tainan, Taiwan/
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