[Pw_forum] too many test configurations

[Paolo Giannozzi]

On Thursday 24 November 2005 17:19, Hande Ustunel wrote:

> I was wondering if there's anyone who could tell me why in the
> pseudopotential generation code, if iswitch=3 -- that is to say 
> when I want to run an ae calculation, generate and test the
> pseudopotential all at the same time -- only one test configuration
> is allowed for each run. 

"iswitch=3" means "generate a pseudopotential". The test that 
is perfomed only verifies the correctness of the generation
procedure, not the transferability of the generated pseudopotential. 
You can separately test for transferability, on as many test 
configurations you want ("iswitch=2"; it should be the other way 
round, iswitch=2 for generation and iswitch=3 for testing, since 
one first generates and then tests, but it was written that way;
use the GUI if you find the meaning and syntax of input data hard 
to remember)

Paolo

-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy