subject:"\[Wien\] Component of spin polarization"

Re: [Wien] Component of spin polarization

2018-03-02 Thread Peter Blaha

2018 4:26 PM *To:* wien@zeus.theochem.tuwien.ac.at *Subject:* Re: [Wien] Component of spin polarization run: x lapwdm -up -so and check the case.scfdmup file. On 02/28/2018 11:50 AM, Md. Fhokrul Islam wrote: Hi Prof Blaha and Wien2k users, I am interested in calculating expectation values of different

Re: [Wien] Component of spin polarization

2018-02-28 Thread Peter Blaha

run: x lapwdm -up -so and check the case.scfdmup file. On 02/28/2018 11:50 AM, Md. Fhokrul Islam wrote: Hi Prof Blaha and Wien2k users, I am interested in calculating expectation values of different components of spin operator for a given quantization direction for a surface calculation.