[Pw_forum] ??? marks in ELF analysis

[Paolo Giannozzi]

On Monday 11 July 2005 18:42, Mousumi Upadhyay Kahaly wrote:

> I want to do elf analysis for Cd-di-acetate system. For that, I am
> using ULTRASOFT PSEUDOPOTENTIALS 

in recent versions of the code, the calculation of elf with
ultrasoft pseudopotentials is only partially implemented
(i.e. the elf is calculated without a contribution to the kinetic
energy)

>      Program POST-PROC v.2.0.1  starts ...

in such old versions, the calculation of elf with ultrasoft 
pseudopotentials is likely to be very wrong. The ????????????
are used by some compilers to signal that what is printed
is not a number, I think

Paolo

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Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
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