[CPMD-list] getting PPs to work

Natasa Mateljevic natasa.mateljevic at yale.edu
Mon Sep 16 18:14:18 CEST 2002


Hi, 
thanks for your explanation. Its more clear to me now. But I am not sure 
what I am actually suppose to modify. Should I do this:
g77 -o-Mbyteswapio cpmd.f cpmd.o
or am I suppose to:
(look in the make file for the compiling statement for cpmd, and put "
-Mbyteswapio" in it), and then run the above. Where do I add this 
statement?

I am sure if somehow there is two types of CMPD a "big endian" and a
"little endian", and you have piece of each type (in which case I don't
know how this would fix it. The "reform" sound more likely. So should I do
the reform thing: reform.x C_345_XX.uspp > C_345_XX.dat

where C_345_XX is the name of the pseudo potential file you want to
convert, and i am not sure what the appropriate extensions are.

I tryed the above but still cnat get this to work.
Thanks for your help,
Natasa 





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