[Pw_forum] bands.x (electronic structure)

[Dae Kwang Jun]

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 *** namelist &inputpp no longer valid: please use &bands instead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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