[Wien] Upper energy bound

Leonardo Pisani pisani at itp.uni-frankfurt.de
Fri Dec 10 10:29:03 CET 2004


Dear Wien Users,

does anybody know what could be the reason why the actual calculated upper 
energy eigenvalue is in some calculations lower than the upper bound
specified in the input file for lapw1 ?
For example, in my calculation the upper bound in case.in1 is 1.5 Ryd and the 
upper calculated eigenvaule in file case.energy is 0.5 Ryd .

Thanks in advance,
Best Regards,
Leonardo pisani.




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