[Pw_forum] on nosym=.true.

[Eyvaz Isaev]

Dear Mahmoud,

>I sometimes encounter the message: 
>"the symmetry opetarion  #... is not ...", and sometimes this problem causes the 
>program stop


Another way to overcome this message is specifying  options nr1=N1,Nr2=N2,nr3=N3
Then you should not specify nosym=.true.

>using  "nosym=.true.", what symmetry operations are ignored, 

I suppose, all symmetry elements are ignored

>where should I  refer to find out which symmetry operation number refers to 
>what?
 
In the &system section add verbosity='high' and have a look at output file.

Bests,
Eyvaz.

-------------------------------------------------------------------
Prof. Eyvaz Isaev, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, 
Sweden 

Theoretical Physics Department, Moscow State Institute of Steel & Alloys, 
Russia, 

isaev at ifm.liu.se, eyvaz_isaev at yahoo.com



----- Original Message ----
From: Mahmoud Payami <mpayami at aeoi.org.ir>
To: PWSCF Forum <pw_forum at pwscf.org>
Sent: Wed, November 24, 2010 10:39:10 AM
Subject: [Pw_forum] on nosym=.true.

Dear QE experts,
I am doing slab calculations, and have let the interlayer spacings change 
along z-direction. I sometimes encounter the message: "the symmetry 
opetarion  #... is not...", and sometimes this problem causes the program 
stop. However, I followed Eyvaz's suggestion in the forum and added 
"nosym=.true." in &SYSTEM. Now there is no complain about symmetry operation 
but the number of k-points has been increased. My question is: using 
"nosym=.true.", what symmetry operations are ignored, and where should I 
refer to find out which symmetry operation number refers to what?
Best regards,
Mahmoud Payami,

Physics Group, AEOI, Tehran, Iran. 


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