[Pw_forum] cdiaghg : error # 195

[Luke Thulin]

I think my trouble is from the atomic positions, since I am trying to 
model a strained crystal.  The manual says that could cause the error.  
I just thought it was odd that the scf calculation had no trouble.  I 
made the convergence threshold (ethr) more stringent for the nscf and 
there was no error this time.  Does that make any sense?

Thanks,
Luke

eyvaz_isaev at yahoo.com wrote:

>Just one addition. I mean /Doc and users-gide.tex for
>v3.1. They might be different for others.
>
>Bests,
>Eyvaz.
>
>
>
>--- Eyvaz Isaev <eyvaz_isaev at yahoo.com> wrote:
>
>  
>
>>Hi,
>>
>>Please have a look at page 52 of the users guide in
>>/Doc. If you  do not have  a users-guide.pdf file
>>just
>>type pdflatex users-guide.tex.
>>
>>Bests,
>>Eyvaz.
>>
>>
>>--- Luke Thulin <lukethulin at netscape.net> wrote:
>>
>>    
>>
>>>Hello everyone,
>>>
>>>Does anyone know the cause of this:
>>>
>>>from cdiaghg : error # 195
>>>info =/= 0
>>>
>>>The scf calculation was successful but the nscf
>>>calculation terminated 
>>>almost immediately with this error.
>>>
>>>Thanks,
>>>Luke
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>>>      
>>>
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>
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