[Pw_forum] Error in routine phq_readin (5010)

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Fri Feb 24 20:32:46 CET 2017


On Friday, 24 February 2017 17:54:09 CET Sunetra Das wrote:

> dvscf_star%pat = .true. ,             

Also,
this parameter makes no sense all on his own, I would recommend you stick to the 
bare minimum of parameters to have the code running, and only add one at a time 
and only if you really need it.

ie. you do not need any of these, because you've put the default value or they don't 
apply in your case:
*              dvscf_star%pat = .true. ,                     recover = .false. ,                       qplot = 
.false. ,                         q2d = .false. ,              q_in_band_form = .true. ,                      tr2_ph 
= 1e-10 ,                alpha_mix(1) = 0.7 ,                         nk1 = 31 ,                         nk2 = 31 
,                         nk3 = 1 ,                          k1 = 0 ,                          k2 = 0 ,                          k3 = 0 
,

*

*hth*
-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
+33 (0)1 44 275 084 / skype: paulatz
http://www.impmc.upmc.fr/~paulatto/
23-24/4é16 Boîte courrier 115, 
4 place Jussieu 75252 Paris Cédex 05	
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170224/9064b798/attachment.html>


More information about the users mailing list