sir thanks for your reply, I did the calculation with different k points also. but they are coming again quite different.
On Wed, Apr 5, 2017 at 9:22 PM, VineetKumar Pandey < vineetkumar.pan...@students.iiserpune.ac.in> wrote: > > > Sir I just want to know whether,what I have got , is right or not > Because in Ey , it is quite different . > > > > > On 5 Apr 2017 5:57 p.m., "Lorenzo Paulatto" <lorenzo.paula...@impmc.upmc. > fr> wrote: > > On Wednesday, 5 April 2017 12:45:05 CEST VineetKumar Pandey wrote: > > in the output file of ph.x executable, there is given effective charges > > calculated by different methods (1. through force per unit electric > field, > > 2. through polarisation per unit cell ). and both are different. which > one > > is reasonably good? > > One is as good as the other, if you need more precision you have to > increase > the convergence parameters, more likely the k-points and the cutoff. > > kind regards > > > -- > Dr. Lorenzo Paulatto > IdR @ IMPMC -- CNRS & Université Paris 6 > +33 (0)1 44 275 084 / skype: paulatz > http://www.impmc.upmc.fr/~paulatto/ > 23-24/4é16 Boîte courrier 115, > 4 place Jussieu 75252 Paris Cédex 05 > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > > >
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