[Pw_forum] SCF errror with the converted pseudopotential

[GAO Zhe]

Therefore, you have to use the examples at atomic_doc/***_library, too.
The problem of fhi-ncpp converting, may be solved only by Abinit or FHI98 developers, because of the lack of basic information in pp files.


--
GAO Zhe
CMC Lab, MSE, SNU, Seoul, S.Korea


At 2011-09-14 19:25:54,lucking-pine <songsong19840614 at gmail.com> wrote:

Hi, Paolo
    Thanks for your advice.But the main problem I want to know is if the way which I converted pseudopotential is right or wrong?And could tell me the reason? The  information is very few by only reading atomic_doc/pseudo-gen.pdf.


2011/9/14 Paolo Giannozzi<giannozz at democritos.it>


On Sep 13, 2011, at 16:38 , lucking-pine wrote:

>      from readpp : error #         2
>      inconsistent DFT read



http://www.quantum-espresso.org/user_guide/
node52.html#SECTION000121060000000000000
---
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222




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