Re: [Wien] Elastic constant calculation for tetragonal system

Dear Muhammad, try this link:  http://www.electrochemsci.org/papers/vol8/81112252.pdf  Best regards  Tomas  -- Původní zpráva -- Od: Muhammad Sajjad <sajja...@gmail.com> Komu: wien <wien@zeus.theochem.tuwien.ac.at> Datum: 16. 12. 2015 15:49:50 Předmět: [W

Re: [Wien] Elastic constant calculation for tetragonal system

> > http://www.electrochemsci.org/papers/vol8/81112252.pdf > > Best regards > > Tomas > > > -- Původní zpráva -- > Od: Muhammad Sajjad <sajja...@gmail.com> > Komu: wien <wien@zeus.theochem.tuwien.ac.at> > Datum: 16. 12. 2015 15:49:50 >

Re: [Wien] Elastic constant calculation for tetragonal system

t;> >> Tomas >> >> >> -- Původní zpráva -- >> Od: Muhammad Sajjad <sajja...@gmail.com> >> Komu: wien <wien@zeus.theochem.tuwien.ac.at> >> Datum: 16. 12. 2015 15:49:50 >> Předmět: [Wien] Elastic constant calculation

[Wien] Elastic constant calculation for tetragonal system

Dear all Can we use same method to calculate elastic constant for tetragonal system as we do for cubic system? -- Kind Regards Muhammad Sajjad Post Doctoral Fellow KAUST, KSA. ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at

[Wien] elastic constant

I cannot verify these problems. Starting with your init-struct file, I get proper rhomb.struct and no errors. LinYan Li schrieb: Dear Stefaan, I want to calculate the elastic constants of flurite CaF2, but I meet the following errors:

[Wien] elastic constant

Dear Stefaan, I want to calculate the elastic constants of flurite CaF2, but I meet the following errors: INITIALIZATION for RHOMBOHEDRAL CALCULATIONS