[Pw_forum] GIPAW: error in output

[Lorenzo Paulatto]

In data 25 ottobre 2011 alle ore 19:05:45, Carlo Nervi  
<carlo.nervi at unito.it> ha scritto:
> It should be the line with dclamda (see below) - no idea how to furter
> help the developers ;-)

This *could* originate at line 137 where "t" is computed by h_psi (which  
is really ch_psi_all); t is then used to compute c.

In another contest I found cg_solve_all call to ch_psi_all to be extremely  
easy to get wrong, as it secretly uses a few global variable. The gipaw  
code uses its own version of ch_psi_all, but how to be sure that is is  
that one being called an not the one from phonon? In principle the linking  
order would guarantee it, but better safe then sorry.

The two subroutines have the same name, but use different global  
variables. I would try this, just to be sure:

* in GIPAW/ch_psi_all.f90 and GIPAW/greenfunction.f90  change "ch_psi_all"  
to "ch_psi_all_gipaw" (2 changes for file, 4 total)
* recompile
* run

cheers

-- 
Lorenzo Paulatto IdR @ IMPMC/UPMC CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www:   http://www.impmc.upmc.fr/~paulatto/
mail:  23-24/4é14 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05