[Pw_forum] (no subject)
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.
> 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.
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
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