[Pw_forum] (no subject)

saswata halder sanky.h at gmail.com
Mon May 11 11:06:22 CEST 2015


Thank you sir,

I'll try and do it as soon as possible

On Mon, May 11, 2015 at 2:31 PM, George Amolo <georgeamolo862 at gmail.com> wrote:
> Hello Saswata,
>
> Good day. It will be nice if you attach the input script so that members of
> the forum can help you.
>
> george
> University of Eldoret, Kenya
>
> On Mon, May 11, 2015 at 11:39 AM, saswata halder <sanky.h at gmail.com> wrote:
>>
>> Dear Users,
>>
>> I am sort of a beginner in quantum espresso and i am working with a
>> perovskite system. I have tried both scf and relax calculations for
>> SrTiO3. the forces are shown to be zero. But i am quite unsure about
>> the value of pressure that is optimum for a relaxed structure.
>>
>> I request you to please help me on this matter.
>> I apologize if my question is ill-framed.
>>
>> Thanking you,
>>
>> Saswata Halder.
>> _______________________________________________
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>
>
>
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