[Pw_forum] warning message about matdyn.x

Paolo Giannozzi giannozz at democritos.it
Thu Oct 11 23:08:00 CEST 2012


On Oct 11, 2012, at 22:38 , Chengyang Li wrote:

> I find I can not open matdyn.x correctly, it shows random characters

nobody told you to look into a binary file. You have to look into the  
fortran file.
See below.

> And when I checked the mailing list, I found this thread has a  
> similar problem.
>
> http://www.democritos.it/pipermail/pw_forum/2012-June/024244.html
>
> In my self consistent calculation input file, I choose to use the  
> lattice vectors rather than ibrav/celldm, is it the reason that I  
> can not calculate the phonon frequency with matdyn.x?

if you haven't updated your version of matdyn.f90, maybe this is the  
reason.
Mine works.

>> your file looks fine, so you have to find out what happened.
>> The error message is quite clear and explains what happens
>> where:
>>
>>>>>      At line 658 of file matdyn.f90 (unit = 1, file = 'cr04.fc')
>>>>>       Fortran runtime error: Bad real number in item 8 of list
>>>>>       input
>>
>> so: go to line 658 of file matdyn.f90 and find what is read there
>>
>> P.
>> ---
>> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
>> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>> Phone +39-0432-558216, fax +39-0432-558222
>>
>>
>>
>>
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> _______________________________________________
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---
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222







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