[QE-users] S matrix not positive definite error

Aziz Fall afall at umich.edu
Sun Dec 30 20:09:00 CET 2018


No I dont have the solution yet

Sincerely Aziz Fall

On Sun, Dec 30, 2018 at 11:22 AM Shishir Timilsena <expressgucci at gmail.com>
wrote:

> 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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