[Pw_forum] The inputs of "ph.x"

[Gabriele Sclauzero]

Please read more carefully the input data description in Doc/INPUT_PH.txt or have just a 
look inside the phq_readin subroutine.

 From INPUT_PH:

Structure of the input data:
===============================================================================

title_line

&INPUTPH
    ...
/

xq(1) xq(2) xq(3)
[ irrep(1) irrep(2) ... irrep(nrapp)   ]     # if "nrapp" was specified
[ atom(1)  atom(2)  ... atom(nat_todo) ]     # if "nat_todo" was specified


You'll see that the program expects a title line before reading the namelist, so add that 
line to your file and try again.

Regards

GS



潘登 wrote:
> Dear All Users,
> 
> When I was try to running a phonon calculation,I have got this error message.
> 
>      from phq_readin : error #         1
>      reading inputph namelist
> 
> Although I know I have some mistake in the inputs,I don't know which
> is.Here is the inputs of mine.
> 
>  &inputph
>   tr2_ph=1.0d-10,
>   prefix='BaNiAs',
>   amass(1)=56.00,
>   amass(2)=28.00,
>   amass(3)=33.00,
>   outdir='/disk2/xgwan/tmp/'
>   fildyn='BaNiAs.dyn',
>   ldisp=.true.,
>   nq1=8, nq2=8, nq3=8
>  /
> 
> 
> Perhaps the error  is the missing of "xq(1)xq(2)xq(3)".But it not
> specified in the example06 either. If that is the problem, Please
> someone tell me how to set the value of these.
> 
> Have nice day!
> 
> Pan Deng
> Nanjing University
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
> 

-- 


o ------------------------------------------------ o
| Gabriele Sclauzero, PhD Student                  |
| c/o:   SISSA & CNR-INFM Democritos,              |
|        via Beirut 2-4, 34014 Trieste (Italy)     |
| email: sclauzer at sissa.it                         |
| phone: +39 040 3787 511                          |
| skype: gurlonotturno                             |
o ------------------------------------------------ o