[Pw_forum] effective charges and USPP implementation

[Kun Yin]

Dear Stefano de Gironcoli,
Thank you for your reply!
--
Kun Yin
Ph.D. Candidate
School of Earth Sciences and Engineering
Nanjing University
502 Geological Laboratory Building
22 Hankou Road
Nanjing 210093
P.R. China

email: kyin.cn at gmail.com
----- Original Message ----- 
From: "Stefano de Gironcoli" <degironc at sissa.it>
To: "PWSCF Forum" <pw_forum at pwscf.org>
Sent: Sunday, April 19, 2009 5:42 PM
Subject: Re: [Pw_forum] effective charges and USPP implementation


> Dear Kun Yin,
>  the webpage http://www.pwscf.org/pseudo.htm is outdated and is not
> linked anymore from the pwscf website .
>  effective charges and electron-phonon coefficients are implemented
> with USPP.
>  third order derivatives are not.
>
>  stefano de Gironcoli - SISSA and DEMOCRITOS
>
> Kun Yin wrote:
>> Dear Users and Developers:
>>
>> PWscf website (http://www.pwscf.org/pseudo.htm) states that "calculations 
>> of
>> effective charges, electron-phonon coefficients, third-order derivatives 
>> are
>> not implemented with USPPs". Does this situation still exist? My primary
>> concern is the effective chareges calculation. Please tell me if this
>> feature has been implemented with USPPs now, and if yes, from which 
>> version
>> on? Thank you in advance!
>>
>> --
>> Kun Yin
>> Ph.D. Candidate
>> School of Earth Sciences and Engineering
>> Nanjing University
>> 502 Geological Laboratory Building
>> 22 Hankou Road
>> Nanjing 210093
>> P.R. China
>>
>> email: kyin.cn at gmail.com
>>
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>
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