[Pw_forum] bands.x (electronic structure)

[Paolo Giannozzi]

Not necessarily so: the message about &inputpp vs &bands is issued
when an error is detected in the namelist. So there is definitely an
error in the namelist but the error is not necessarily in the name of
the namelist. Recent versions of QE do not issue any longer such error
message.

Paolo

On Sat, Jul 9, 2016 at 12:46 PM, Dae Kwang Jun <jdaekwang at gmail.com> wrote:
> Dear Rezvan Molavi,
>
> It appears that you have &INPUTPP instead of &BANDS in the input file. See
> http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_BANDS.html
>
> Sincerely,
>
> Dae Kwang Jun
>
> On Sat, Jul 9, 2016 at 7:34 PM, rezvan molavi <molavi.rezv at gmail.com> wrote:
>>
>> Hello
>> thanks for your answer.
>>
>> I corrected the address. but the following error occurs.
>> how ever I didnt use &inputpp but I used &bands.
>>
>>
>> *** namelist &inputpp no longer valid: please use &bands instead
>>      Error in routine bands (5010):
>>      reading bands namelist
>>
>> On Sat, Jul 9, 2016 at 10:04 AM, Lorenzo Paulatto
>> <lorenzo.paulatto at impmc.upmc.fr> wrote:
>>>
>>> Prefix and outdir must be the same as in pw input
>>> HTH
>>>
>>> --
>>> Lorenzo Paulatto
>>> Written on a virtual keyboard with real fingers
>>>
>>> On 9 Jul 2016 12:25 a.m., "rezvan molavi" <molavi.rezv at gmail.com> wrote:
>>>>
>>>> Hello
>>>>
>>>>   when I run bands.x program for my inputfile.bands.in
>>>> the following error occurs in outputfile.bands.out:
>>>>
>>>> Error in routine pw_readfile (1):
>>>>      error opening xml data file
>>>>
>>>>
>>>> what is the solution?
>>>> best regards
>>>>
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>>
>>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222