The ABINIT Users Mailing List ( CLOSED )

[Rob <spamrefuse@yahoo.com>]

Hi,

Every binary file has a header, which has most of the relevant information of 
the
data that follows.

There is one misterious variable that is relevant, but is not part of the 
binary file:
it's the "cplex" variable. Its relevant to the data that follows the header.

I assume it's an integer, which can be 0, 1, or 2, depending on whether you do
a GS, or RF calculation.

However, how can one find out about this variable, while reading the binary 
file?
For now, I just hard code it to be always 1....

Ah, well, indirectly one can find out about cplex. For example, the variable 
"pertcase"
is always zero for a GS calculation (I presume it's non-zero otherwise).
But then if cplex is not zero, how can I find out from the binary file?

If someone knows more about this cplex variable, please let me know.

Thanks!
Rob.

PS: The on-line documentation on the binary header uses "rhoij" and "rhoijp"
for one and the same variable (see the write instruction and declaration 
insets).
This is somewhat confusing.