Re: [Pw_forum] nscf+lelfield -----> Wrong k-string? Error

2015-08-23 Thread Mostafa Youssef
Dear Mojtaba, I have not encountered this error before, so I cannot comment on it. But I think it is a little bit strange to apply the electric field in the nscf calculation only. If you would like to calculate the polarization in the presence of the electric field , you need 2 scf

[Pw_forum] nscf+lelfield -----> Wrong k-string? Error

2015-08-23 Thread Mojtaba Mirseraji
Dear Users I perform lelfield=.true. option in PWSCF (only in nscf) for berry calculations of polarization but unfortunately " Wrong k-string? " error is showed. I do not know how to solve it I have this error when I run this nscf input: calculation = 'nscf' ,