Re: [SIESTA-L] Query regarding transmission spectrum results

2021-09-08 Por tôpico Sankushkrishna Maheshuni
Thank You, Sir. On Wed, Sep 8, 2021 at 1:48 AM Nick Papior wrote: > Question and answer given here: > https://mattermodeling.stackexchange.com/questions/6696/can-transmission-spectrum-value-exceed-1-within-bias-window > > Den fre. 3. sep. 2021 kl. 22.00 skrev Sankushkrishna Maheshuni < >

Re: [SIESTA-L] strange force in phonon calculation

2021-09-08 Por tôpico Andrei Postnikov
Dear Ziba,it seems that you are randomly trying different options.Try to be more systematic.MeshCutoff of 870 Ry seems to be an overkill -but certainly not an error; if your tests show that you need as much as that, so be it.Did you have a look at your structures with visualisation tools - is