[Wien] error

2016-03-27 Thread bhat tahir 
dear sir,
when i tried to calculate the c/a ratio at constant vol.there seems an error
no energy limits found for atom?? 1? L= 1?
?'SELECT' - E-bottom?? -3.72923?? E-top -200.0?
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[Wien] error in calculation

2016-03-22 Thread bhat tahir 
dear sir,
when i tried to calculate the c/a ratio at constant vol.there seems an error
no energy limits found for atom   1  L= 1
 'SELECT' - E-bottom   -3.72923   E-top -200.0
i want to know where to adjust this energy..
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