Re: [QE-users] meaning of Sym.Ops. (with q -> -q+G )
Thank you Paolo for the explanation. Regards, Krishnendu - Original Message - From: "paolo giannozzi" To: users@lists.quantum-espresso.org Cc: "KRISHNENDU MUKHERJEE" Sent: Sunday, February 26, 2023 1:34:53 PM Subject: Re: [QE-users] meaning of Sym.Ops. (with q -> -q+G ) On 23/02/2023 11:56, KRISHNENDU MUKHERJEE wrote: > 3 Sym.Ops. (with q -> -q+G ) > Can you please let me know what does Sym.Ops. (with q -> -q+G ) mean? it means that there is a symmetry operation that sends q into -q+G, where G is a reciprocal-lattice vector Paolo -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216 ___ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
Re: [QE-users] meaning of Sym.Ops. (with q -> -q+G )
On 23/02/2023 11:56, KRISHNENDU MUKHERJEE wrote: 3 Sym.Ops. (with q -> -q+G ) Can you please let me know what does Sym.Ops. (with q -> -q+G ) mean? it means that there is a symmetry operation that sends q into -q+G, where G is a reciprocal-lattice vector Paolo -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216 ___ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
[QE-users] meaning of Sym.Ops. (with q -> -q+G )
Dear pw-user, While running the ph.x code I am getting the following in the output: Computing dynamical matrix for q = ( 0.000 0.000 0.000 ) 3 Sym.Ops. (with q -> -q+G ) Can you please let me know what does Sym.Ops. (with q -> -q+G ) mean? Thank you, Regards, Krishnendu Mukherjee, Ph.D., Principal Scientist, CSIR-NML, India. ___ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
