[Pw_forum] error got by using program pp.x to deal with the input file

Weiguang Chen chenweiguang82 at gmail.com
Wed Jan 21 23:45:45 CET 2009


Hi,
Thanks for your respondence quickly.
But there is no tag to set gaussian broadening in the input-file of
pp.x .   Is this mean that I should set this value in scf calculation?
In fact,  I have used gaussian broadening in scf calculation.

I set the gaussian broadening in scf calculation as follows:
                     occupations='smearing',
smearing='gauss',
degauss=0.01,

Thanks
Chen Weiguang
On Thu, Jan 22, 2009 at 2:55 AM,  <giannozz at democritos.it> wrote:
> Quoting Weiguang Chen <chenweiguang82 at gmail.com>:
>
>> I am a newbie about pwscf and i want to know what parameter should
>> been modified. Could you tell me more detail why this problem happen?
>
> documentation in Doc/INPUT_PP.*
>
> Paolo
>
>
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-- 
Best Wishes
ChenWeiguang

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