[QE-users] Error in routine cdiaghg (1): problems computing cholesky

7.011596253 K_POINTS (automatic) 1 1 1 0 0 0 %% Error in routine cdiaghg (1): problems computing cholesky %% Thank You. Regards, Bhumika

Re: [QE-users] Error while parsing atomic position card

Thank you Sir. It's working now. Regards, Bhumika Longakshi On Tue, 29 Dec, 2020, 18:30 Stefano Baroni, wrote: > > > On 29 Dec 2020, at 09:41, Bhumika Longakshi > wrote: > > Dear All, > > I have been trying to do AIMD simulation but it is giving me an error > m

Re: [QE-users] Error while parsing atomic position card

Thank you Sir for pointing out the error. It is working now. Regards, Bhumika Longakshi On Tue, Dec 29, 2020 at 3:03 PM Javier GONZALEZ PLATAS wrote: > You have I2. and not 12. in the coordinate for one of the Al atom > > Javier González Platas > Research_ID: I-1937-2015 > Orcid:

[QE-users] Error while parsing atomic position card

Error in routine card_atomic_positions (1): Error while parsing atomic position card. %% stopping ... ---