[Wien] Regarding Error in lapw1 with WIEN2k13

[Krisna Swaroop Sharma]

Dear Prof. Blaha
Strange which I am not able to make out.
My students have reported  that when they solve the problem of MgB2 doped
with Al i.e. in the 2x2x1 super-cell for MgB2 when the Mg atom at position
(0,0,0) is replaced by Al atom the SCF cycle stops in the 1st cycle giving
the error:
Error in lapw1
'Select' - no energy limits found for atom 1  L=1
'Select' - E_bottom -200.00000  E_top -200.00000
I tried to fix up the error as per suggestions given in user guide but it
could not be possible.
However, when I run the problem on WIEN2k10 it was successfully done.
WIEN2k10 with us has been compiled with gfortran , while WIEN2k13 was
compiled with ifort2013.
Kindly suggest as to what can be the possible cause and how to fix it
Thanking you.
Yours Sincerely
Prof K. S. Sharma
The IIS University Jaipur, India
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