QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: njuxyh on February 9, 2019, 10:29

Title: The newest pp pseudodojo pp can support spin orbital coupling
Post by: njuxyh on February 9, 2019, 10:29

Hi :
i want to see the band split due to the soc,  and i am wondering the pseudoDojo pp can support this kind calculation?

thanks very much

Title: Re: The newest pp pseudodojo pp can support spin orbital coupling
Post by: Daniele Stradi on February 11, 2019, 08:58

Hi.

No, only OMX and SG15 support spin-orbit coupling in QuantumATK-2018-SP1-1.

Best regards,
Daniele

Title: Re: The newest pp pseudodojo pp can support spin orbital coupling
Post by: Anders Blom on March 25, 2019, 22:53

2019.03 does support SOC for the PseudoDojo GGA PPs