Dear Paolo
Thank you.
I still have problem with the LO-TO Splitting. Pls check my output.
Diagonalizing the dynamical matrix
q = ( 0.000000000 0.000000000 0.000000000 )
**************************************************************************
omega( 1) = 1.190970 [THz] = 39.726491 [cm-1]
omega( 2) = 1.190970 [THz] = 39.726491 [cm-1]
omega( 3) = 1.190970 [THz] = 39.726491 [cm-1]
omega( 4) = 28.477054 [THz] = 949.892270 [cm-1]
omega( 5) = 28.477054 [THz] = 949.892270 [cm-1]
omega( 6) = 28.477054 [THz] = 949.892270 [cm-1]
**************************************************************************
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On Fri, 12/11/15, Paolo Giannozzi <[email protected]> wrote:
Subject: Re: [Pw_forum] Issue with LO-TO splitting
To: "lateef mustapha" <[email protected]>, "PWSCF Forum" <[email protected]>
Date: Friday, December 11, 2015, 9:10 AM
On Fri, Dec 11,
2015 at 2:55 PM, lateef mustapha <[email protected]>
wrote:
espil=.true.,
"espil" ?
P.
--
Paolo Giannozzi, Dept.
Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216,
fax +39-0432-558222
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