[QE-users] S matrix not positive definite error
expressgucci at gmail.com
Sun Dec 30 17:21:29 CET 2018
have u got the solution
On Sat, Dec 29, 2018 at 4:14 AM Aziz Fall <afall at umich.edu> wrote:
> Dear Quantum Espresso team,
> does anyone still have any ideas?
> Sincerely Aziz Fall
> On Thu, Dec 6, 2018 at 4:18 PM Aziz Fall <afall at umich.edu> wrote:
>> Dear Quantum espresso team,
>> I have been trying to run a band structure calculation of CrI3, I was
>> able to successfully run the scf file, but when I try to run by bands file
>> it gives the error that "S matrix is not positive definite" I have attached
>> a screenshot of my k-path selection along with the bands.in file any
>> help will be greatlly appreciated.
>> Thank You,
>> Sincerely Aziz Fall
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