[Pw_forum] spin multiplicity

Weyl Fang weylfang at gmail.com
Thu Jun 17 04:54:04 CEST 2010

  Dear all,

Recently i am working on a slab with the QE-4.1.2. I use the 
spin-polarized calculation through setting spin multiplicity. But i can 
not find the spin multiplicity in QE-4.2. Is this not provided in 
QE-4.2? If i want to set the spin multiplicity, how can i do it?

Any suggestions will be appreciated.


Graduate student in Chemical Engineering
State Key Laboratory of Materials-oriented Chemical Engineering
College of Chemistry and Chemical Engineering
Nanjing University of Technology, 210009, Nanjing, Jiangsu, China
Email: weylfang at gmail.com
Office: Room A705, Technical Innovation Building, Xinmofan Road 5#, Nanjing, Jiangsu, China

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