[Pw_forum] bands.x (electronic structure)
Dae Kwang Jun
jdaekwang at gmail.com
Sat Jul 9 12:46:39 CEST 2016
Dear Rezvan Molavi,
It appears that you have &INPUTPP instead of &BANDS in the input file. See
Dae Kwang Jun
On Sat, Jul 9, 2016 at 7:34 PM, rezvan molavi <molavi.rezv at gmail.com> wrote:
> 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 *** namelist &inputpp no longer valid: please use &bands instead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
>> 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:
>>> 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
>>> Pw_forum mailing list
>>> Pw_forum at pwscf.org
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