[Pw_forum] bands.x (electronic structure)

[Phanikumar Pentyala]

Dear Rezvan Molavi,

If you are using QE version 4.x.x, then use* &inputpp* OR It is version of
5.x.x use* &bands*



​Phanikumar​


On Sat, Jul 9, 2016 at 4:16 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 *** namelist &inputpp no longer valid: please use &bands instead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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>
>
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