[Pw_forum] bands.x (electronic structure)
molavi.rezv at gmail.com
Sat Jul 9 12:34:32 CEST 2016
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*** namelist &inputpp no longer valid: please use &bands instead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
> Pw_forum mailing list
> Pw_forum at pwscf.org
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