[Wien] Reg: Will -qtl will work along with -so and -orb
Peram sreenivasa reddy
peramsreenivas at gmail.com
Tue Mar 19 04:32:42 CET 2019
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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