[Wien] Error during optimize of Cinnabar structure

[Nandan Tandon]

We are doing a calculation of ZnS in cinnabar structure. The scf 
calculation for actual lattice constant completed without any problem. But 
when we were trying to do the scf using optimize script by varying the 
volume, the program stop with "Error in core". The volume variation of -1, 
1% gives this error. Please let me know if any other information is 
required. Thank you in advance.

-- 
Regards,

Nandan.

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Nandan Tandon
Research Student
Department of Physics,
University of Pune			Mob:(0)9423018605
Pune-411007                             Tel.(O)+91-20-25692678 ext 426
MAHARASHTRA, INDIA.                     Fax.(O)+91-20-25691684
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