[Pw_forum] some problems on the phonon

[Eyvaz Isaev]

Hi,

Answers to these questions were done in the forum
before. Please search mails in the forum. 
Nevertheless I will try to give short answers again

>   In nscf file
>   task # 1
>   from phq_init:error# 1
>   wrong order of k points
In my experience it is caused by inproperly finished
nscf-calculations. Check your nscf.out file.

> or  
>   from read_namelists:error # 225
>   reading namelist cell
There is definitely an error in your input file. Check
carefully &cell section of your input file and compare
with keywords in INPUT_PW file in /Doc.

>     The second question, when I calculate the phonon
> frequencies under pressure,it appears error in nscf
> file like this :
>   from ptoinit :error
>   starting and expected charges differ  
So interesting. You did not finish any phonon
calculation and then started to study phonons under
pressure.

I remember there was such a kind question in the
forum, too. One possible error is that you try to
specify number of electrons, but number of output
electrons is not the same. More likely there is a
mistake in your input file. 
   
Bests,
Eyvaz.

>   I'm thirsty for your reply.Thanks.
> Best regards
> 
> 		
> ---------------------------------
> ÇÀ×¢ÑÅ»¢Ãâ·ÑÓÊÏä-3.5GÈÝÁ¿£¬20M¸½¼þ£¡ 


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