[Pw_forum] Bug in v4.3.1's dos.x ?

[Omololu Akin-Ojo]

Thank you so much, Emine. I appreciate your response.
I found I was actually using 4.2 for the the scf (not 4.3.1 as I
earlier wrote/thought) and 4.3.1 for the dos.x.
I will make changes in order to be consistent.
Thanks again!

o.

On Tue, Jun 14, 2011 at 1:41 PM, Emine Kucukbenli <kucukben at sissa.it> wrote:
> Dear Omololu Akin-Ojo,
> It is a known bug and fixed. You can update the version of the code
> you are using.
> It is not supposed to appear if consistent versions of pw is used for
> reading(post processing) and writing(tha actual calculation) the data..
> Thanks for reporting.
> emine kucukbenli, phd student, sissa, italy.
>
> Quoting Omololu Akin-Ojo <prayerz.omo at gmail.com>:
>
>> Hi,
>>
>> I got the following error when I used dos.x bundled with QE vs. 4.3.1
>> to try to obtain the dos for a nanowire. I don't think I am doing
>> anything wrong since dos.x from QE vs. 4.2 works but you never can
>> tell, so pls let me know if my input is in error. The scf was always
>> performed with pw.x in QE vs. 4.3.1:
>>
>> ########################################################################################################################
>> # FROM IOTK LIBRARY, VERSION 1.2.0
>> # UNRECOVERABLE ERROR (ierr=-1)
>> # ERROR IN: iotk_scan_dat (iotk_dat.spp:1002)
>> # CVS Revision: 1.27
>> # Dat not found
>> name=NON-PERIODIC_CELL_CORRECTION
>> ########################################################################################################################
>> ERROR: 0031-250  task 0: Terminated
>> ERROR: 0031-250  task 1: Terminated
>>
>> My input (dos.in):
>> &INPUTPP
>>     prefix='nt12',
>>       outdir = './SCRATCH/',
>>       fildos='mydos.dat'
>>       Emin=-25.0,
>>       Emax=5.0,
>>       DeltaE=0.00350
>>       degauss=0.0036764705882352945
>>    /
>>
>> Grazie!
>>
>> o.
>>
>> Omololu AKIN-OJO
>> Postdoctoral Fellow,
>> International Centre for Theoretical Physics (ICTP)
>> Trieste, Italy.
>>
>>
>>
>>
>>
>>
>> --
>> ***************** Seek GOD! *************
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>
>
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