[Wien] large QTL-B value

stargmoon stargmoon at yahoo.com
Thu Nov 6 22:26:00 CET 2003


Dear all,
 
After I finished the converged self-consistent calculation, I did "x lapw2 -qtl" in order to calculate the DOS. During the self-consistent calculation, I didn't get any QTL-B values, however, after I did the "x lapw2 -qtl" I found a big (around 10) QTL-B values in file case.scf2. What did this QTL-B value come from? Except this weird QTL-B value, every thing is Ok, I mean the total number of electrons, and the Fermi level.
 
Thanks for your reply!
 
Stargmoon


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