Dear Prof. Blaha,
After running "runsp_lapw -i 100 -ec 0.0001 -eece -so -p", I tried to compute
the DOS using "x lapw2 -c -up/dn -so -p -eece -qtl" but the case.qtlup/dn is
empty.
How do I go about it. Also for a "runsp_lapw -i 100 -ec 0.0001 -orb -so -p"
what
will be the command line to ob
Just use:
x lapw2 -c -up/dn -so -p -qtl
(-eece is used to tell the programs to calculate the HF-potential and to apply
it in lapw1/lapwso). For the DOS you will use these eigenvalues and you do not
need to specify -eece.
PS: When you want a better k-mesh or a band structure, you must use
x lap
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