What should you do? implement stress in the noncollinear case with GGA.
Incidentally I also need it and just implemented it, but it is untested.
You find it here (NO WARRANTY IT WORKS) as a "merge request" with respect
to the current develop version:
https://gitlab.com/QEF/q-e/merge_requests/720
P
Dear Paolo,
Thank you very much for the quick reply. After reading your comments and
considering that some of the contributors of the mailing list succeeded in the
compilation of qe5.1 using gcc 4.8.5, I tried to test additional compilations
using this compiler (gcc 4.8.5). Although the make
Previously you had this error:
READ(dftout(5:), '(i)', IOSTAT=i) beeftype
Error: Nonnegative width required in format string at (1)
Why don't you try to fix it as a first attempt? this might do the job:
READ(dftout(5:), *, IOSTAT=i) beeftype
On Fri, Dec 27, 2019 at 9:46 AM D
Dear Jibiao,
I had the same problem. "damp" algorithm worked for me.
Mohammad
Shiraz University
On Fri, Dec 27, 2019 at 12:16 PM Paolo Giannozzi
wrote:
> What should you do? implement stress in the noncollinear case with GGA.
> Incidentally I also need it and just implemented it, but it is unt
