[Wien] Error while calculating elastic constant using IRelast

[413119008 at nitt.edu]

i have attached the file with the mail.Please find the attachment

with regards

Narayanan

Quoting Gavin Abo <gabo13279 at gmail.com>:

> There appears to a problem with the contents of your MgO.in1 file.   
> You would need to share your MgO.in1 file, if you need further  
> assistance with that.
>
> Kind Regards,
>
> Gavin
> WIEN2k user
>
> On 7/5/2022 9:01 AM, 413119008 at nitt.edu wrote:
>> Thank you very much sir for your help.Now that error is resolved.
>> But again in SCF calculation i am getting error.I have attached the  
>> error below
>>
>> STOP KGEN ENDS
>>  next is dstart
>>>   dstart  -p    (20:17:43) running dstart in single mode
>> STOP DSTART ENDS
>> 2.220u 0.313s 0:00.57 443.8%    0+0k 0+768io 0pf+0w
>> -----> new MgO.in0 generated
>>   init_lapw finished ok
>> running dstart in single mode
>> STOP DSTART ENDS
>> 2.230u 0.303s 0:00.57 443.8%    0+0k 0+696io 0pf+0w
>> 0.047u 0.003s 0:00.05 80.0%    0+0k 0+680io 0pf+0w
>> clmextrapol_lapw has generated a new MgO.clmsum
>> STOP  LAPW0 END
>> At line 393 of file inilpw.f (unit = 5, file = 'MgO.in1')
>> Fortran runtime error: Bad integer for item 2 in list input
>>
>> Error termination. Backtrace:
>> #0  0x14596cea132a
>> #1  0x14596cea1ed5
>> #2  0x14596cea269d
>> #3  0x14596d00eba4
>> #4  0x14596d011e9a
>> #5  0x14596d013379
>> #6  0x562e1cb22db5
>> #7  0x562e1cb26396
>> #8  0x562e1cafbd3e
>> #9  0x14596c2cac86
>> #10  0x562e1cafbd69
>> #11  0xffffffffffffffff
>> grep: lapw2*.error: No such file or directory
>>
>>>   stop error
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