[Pw_forum] Problem with tetrahedra method for calculations DOS

[Yedu Kondalu]

Dear all,

  Thank you for your replies. I was able to resolve it by the suggestion
(./configure --enable-xml) from Dr. Mitsuaki Kawamura in qe-6.1 version.
Sorry for reputation of the mails due to some technical problem of my
E-mail.

Regards
N. Yedukondalu



On Fri, Nov 3, 2017 at 6:13 PM, Yedu Kondalu <nykondalu at gmail.com> wrote:

> Dear
>
> *Karim Elgammal,*
>
>
> *  Thank you for your reply. I am not switching from fixed to tetrahedra
> method, both the methods were used separately.  I want to use tetrahedra
> method to calculate the DOS.  When use the occupations=tetrahedra,  I am
> getting the above specified error. *
>
> *Regards*
>
> *N. Yedukondalu*
>
> On Thu, Nov 2, 2017 at 10:41 PM, Yedu Kondalu <nykondalu at gmail.com> wrote:
>
>> Dear Users and Experts,
>>
>>     I am using QE v.6.1.  I ran DOS calculation for Silicon using
>> Occupations='fixed' in 'scf' and 'nscf' calculations and it was finished
>> successfully and dos output file is created. However, when I used
>> occupations='tetrahedra' in nscf (both scf and nscf), the dos.x calculation
>> was  terminated with the following error (I have tried for couple of
>> systems apart from Si). Now, my question is how to use
>> occupations='tetrahedra' in scf and nscf calculations to compute the DOS
>> for any system. Input files are attached.
>>
>> forrtl: severe (174): SIGSEGV, segmentation fault occurred
>> Image              PC                Routine            Line
>> Source
>> dos.x              0000000000687DBD  qexml_module_mp_q        3753
>> qexml.f90
>> dos.x              00000000005270DD  pw_restart_mp_rea        2101
>> pw_restart.f90
>> dos.x              00000000005239EC  pw_restart_mp_pw_        1057
>> pw_restart.f90
>> dos.x              0000000000408A7B  read_xml_file_             98
>> read_file.f90
>> dos.x              000000000040432B  MAIN__                     95
>> dos.f90
>> dos.x              000000000040422C  Unknown               Unknown
>> Unknown
>> libc.so.6          00002AF83A1E9EC5  Unknown               Unknown
>> Unknown
>> dos.x              0000000000404129  Unknown               Unknown
>> Unknown
>>
>> Thank you,
>>
>> Regards
>> N. Yedukondalu,
>> IICT, Hyderabad
>>
>
>
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