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.gianno...@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.gianno...@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
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