[Wien] actual value of RKmax

Javad Hashemifar s_javad at yahoo.com
Thu Apr 8 11:00:25 CEST 2004


Dear Wien Users,
I have a question about the meaning of "Actual RKmax"
It is clear that the total energy of two similar systems can be compared if
they were obtained using the same RKmax, however it is not clear that input
value of RKmax (in case.in1) should be the same or the Actual value of RKmax
(parameter :RKM in the scf file).
Any comments will be appreciated.

Best regards,
Javad Hashemifar

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Javad Hashemifar                                      phone : ++49-30-8413 4804
Permanent : Physics Department, Isfahan University of Technology, Isfahan, Iran
Current : Fritz-Haber-Institut der MPG, Faradayweg 4-6, D-14195 Berlin, Germany
e-mails:  hashemi at fhi-berlin.mpg.de          &          hashemifar at ph.iut.ac.ir
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