[Wien] Virtual Crystal Approximation

[Hena Das]

Dear All,

Using Virtual Crystal Approximation I am trying to do total energy calculation by varying occupancy of 5d level of W^+6 ion. 
I did a normal initialization first, and afterwards changed Z in case.struct and case.in2 (not in case.inst) and then submitted a scf calculation. 
Change in occupancy by one worked well. However for higher than one, like two, three or more, I got the following error:

Error in LAPW1
 'SELECT' - no energy limits found for atom   4  L= 0
 'SELECT' - E-bottom   -3.51089   E-top -200.00000

I have tried all suggestions given in the "Trouble shooting", but still getting the same error. 

Please help me to solve this problem.

Thank you.

Best regards,
Hena Das