Dear Prof. Kondrin, Herewith I am attaching the output file. Please check it once and suggest me changes if needed.
Thank you On Tue, Jun 8, 2021 at 2:50 PM Shivam Kansara <[email protected]> wrote: > Thank You. I'll check it out > > [image: Mailtrack] > <https://mailtrack.io?utm_source=gmail&utm_medium=signature&utm_campaign=signaturevirality5&;> > Sender > notified by > Mailtrack > <https://mailtrack.io?utm_source=gmail&utm_medium=signature&utm_campaign=signaturevirality5&;> > 06/08/21, > 02:50:17 PM > > On Tue, Jun 8, 2021 at 2:45 PM mkondrin <[email protected]> wrote: > >> On 08.06.2021 13:01, Shivam Kansara wrote: >> >> Thank you for your response. >> I am looking for interaction between CNT and CFO. >> I am considering following CNT, Please have a look, Both have different >> crystal phases. >> >> Thank you in advance. >> >> >> >> Dear Shivam! >> >> Just open your slurm/QE output in JMol (jmol slurm-1536270.out) and you >> will get an idea what is wrong with your structure. Hope this helps. >> >> Sincerely yours, >> M. V. Kondrin >> >> On Tue, Jun 8, 2021 at 2:24 PM mkondrin <[email protected]> >> <[email protected]> wrote: >> >> >> On 08.06.2021 12:20, Shivam Kansara wrote: >> >> Dear all, >> Herewith I am attaching the input & output files of CoFe2O4 and I spent a >> lot of time optimizing it. But the system is not going to converge. >> Please help me for the same. >> >> >> >> _______________________________________________ >> Quantum ESPRESSO is supported by MaX (www.max-centre.eu) >> users mailing list >> [email protected]https://lists.quantum-espresso.org/mailman/listinfo/users >> >> Dear Shivam! >> >> Your structure looks very weird, so it is not surprising that it does >> not converge (jmol image is attached). Try to select more realistic >> initial structure. >> >> Sincerely yours, >> M. V. Kondrin >> >> _______________________________________________ >> Quantum ESPRESSO is supported by MaX (www.max-centre.eu) >> users mailing list >> [email protected]https://lists.quantum-espresso.org/mailman/listinfo/users >> >> >> >> _______________________________________________ >> Quantum ESPRESSO is supported by MaX (www.max-centre.eu) >> users mailing list >> [email protected]https://lists.quantum-espresso.org/mailman/listinfo/users >> >> >> _______________________________________________ >> Quantum ESPRESSO is supported by MaX (www.max-centre.eu) >> users mailing list [email protected] >> https://lists.quantum-espresso.org/mailman/listinfo/users > > > > -- > > *-- With Regards* > Dr. Shivam Kansara > Web: https://scholar.google.co.in/citations?user=gucGzjsAAAAJ&hl=en > https://www.researchgate.net/profile/Shivam_Kansara > > https://sites.google.com/view/shivamkansara > -- *-- With Regards* Dr. Shivam Kansara Web: https://scholar.google.co.in/citations?user=gucGzjsAAAAJ&hl=en https://www.researchgate.net/profile/Shivam_Kansara https://sites.google.com/view/shivamkansara [image: Mailtrack] <https://mailtrack.io?utm_source=gmail&utm_medium=signature&utm_campaign=signaturevirality5&;> Sender notified by Mailtrack <https://mailtrack.io?utm_source=gmail&utm_medium=signature&utm_campaign=signaturevirality5&;> 06/08/21, 03:41:50 PM
slurm-1529153.out
Description: Binary data
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