[QE-users] Error in routine cft_1z (3) stopped in DFTI_NUMBER_OF_TRANSFORMS

Daniel Marchand daniel.marchand at gmail.com
Wed Jan 6 19:45:59 CET 2021


I'm trying again, it's not very clear to me why my files are being
rejected.


-----------------
Daniel Marchand daniel.marchand at gmail.com
Ph.D candidate EDMX EPFL

On Wed, Jan 6, 2021 at 1:34 PM Daniel Marchand <daniel.marchand at gmail.com>
wrote:

> Sorry, it looks like my attachment was flagged. I am trying again now with
> individual files.
>
> Daniel
>
>
> -----------------
> Daniel Marchand daniel.marchand at gmail.com
> Ph.D candidate EDMX EPFL
>
>
> On Wed, Jan 6, 2021 at 1:32 PM Daniel Marchand <daniel.marchand at epfl.ch>
> wrote:
>
>> Sorry, it looks like my attachment was flagged. I am trying again now
>> with individual files.
>>
>> Daniel
>>
>>
>> -----------------
>> Daniel Marchand daniel.marchand at gmail.com
>> Ph.D candidate EDMX EPFL
>>
>> On Tue, Jan 5, 2021 at 2:28 PM Daniel Marchand <daniel.marchand at gmail.com>
>> wrote:
>>
>>> Hi QE people,
>>>
>>> I'm hitting an unusual error, which I have never seen before and can't
>>> find any trace of in the mailing archive list. I'm not quite sure what I'm
>>> doing wrong. The settings I'm using seem reasonable, and for most of my
>>> calculations, they are fine. Yet, for a certain minority of my
>>> calculations, I get a complete failure with the error message in the title.
>>> If anyone has any insights, it would be much appreciated. I have copied the
>>> inputs/outputs of the calculation.
>>>
>>> Best,
>>>
>>> Daniel
>>>
>>>
>>>
>>>
>>> -----------------
>>> Daniel Marchand daniel.marchand at gmail.com
>>> Ph.D candidate EDMX EPFL
>>>
>>
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