[QE-users] ibrav = -12 xml error

[Paolo Giannozzi]

On 09/10/2022 18:50, Tom Demeyere wrote:
> "test-suite/lattice-ibrav-12.in contains ibrav=-12 but does not produce
> such a message”
> 
> Changing calculation from “scf” to “relax” in the test produce the error for me, do you have it too?

no ... at least not for v.7.0. There were a few glitches with 
"non-standard" values of ibrav but I am quite sure all of them were 
fixed before v.7.1 was released

Paolo

> Best regards,
> Tom Demeyere
> 
> 
> 
>> On 9 Oct 2022, at 17:44, Paolo Giannozzi <paolo.giannozzi at uniud.it> wrote:
>>
>> CAUTION: This e-mail originated outside the University of Southampton.
>>
>> test-suite/lattice-ibrav-12.in contains ibrav=-12 but does not produce
>> such a message
>>
>> Paolo
>>
>> On 09/10/2022 18:27, Tom Demeyere wrote:
>>> Dear Paolo,
>>>
>>> I tried 7.1 and 7.0
>>>
>>> Best regards,
>>> Tom Demeyere
>>>
>>>
>>>
>>>> On 9 Oct 2022, at 17:12, Paolo Giannozzi <paolo.giannozzi at uniud.it> wrote:
>>>>
>>>> CAUTION: This e-mail originated outside the University of Southampton.
>>>>
>>>> On 09/10/2022 16:36, Tom Demeyere wrote:
>>>>
>>>>> I get this message in stderr:
>>>>>
>>>>> ERROR(FoX)
>>>>> xml_AddAttribute: Invalid character in value
>>>>>
>>>>> When using ibrav = -12
>>>>
>>>> for which code version?
>>>>
>>>> Paolo
>>>> --
>>>> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
>>>> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>>>> Phone +39-0432-558216, fax +39-0432-558222
>>>
>>
>> --
>> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
>> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>> Phone +39-0432-558216, fax +39-0432-558222
> 

-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222