Thank you Pandey sir. I found out the mistake I have done. regards sushant
> can you provide your input file? it seems different pseudo-potential file > have selected. BDW input file will explain more about your problem. You > are saying optimize (relax or vc-relax) but you are using 'scf'. > > -- > Regards > Dr. Bramha P Pandey > Asstt. Prof. ECE Deptt. > GLA University, Mathura (U.P) > India-281406. > > On Sat, Mar 12, 2016 at 12:24 PM, Mr. Sushant Kumar Behera < > sush...@tezu.ernet.in> wrote: > >> Hello all dear >> >> When I try to optimize my systeme ( Co3O4) with calculation='scf' the >> calculation starts, but after some times it gives the following error: >> >> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% >> Error in routine set_dft_from_name (1): >> conflicting values for icorr >> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% >> stopping ... >> >> >> I am a new user of QE v5.2.1. Can anybody help me to resolve this >> problem... -- >> >> With Warm Regards >> >> sushant >> >> >> >> ___________________ >> D I S C L A I M E R >> This e-mail may contain privileged information and is intended solely >> for >> the individual named. If you are not the named addressee you should not >> disseminate, distribute or copy this e-mail. Please notify the sender >> immediately by e-mail if you have received this e-mail in error and >> destroy it from your system. Though considerable effort has been made to >> deliver error free e-mail messages but it can not be guaranteed to be >> secure >> or error-free as information could be intercepted, corrupted, lost, >> destroyed, >> delayed, or may contain viruses. The recipient must verify the integrity >> of >> this e-mail message. >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum@pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- With Warm Regards Sushant Kumar Behera INSPIRE Fellow Advanced Functional Material Laboratory Deaprtment of Physics Tezpur University Tezpur, India 784028 email: sush...@tezu.ernet.in Phone: +91-3712-275578 (Lab) Cell: +91-8473848729 (Mob) http://www.tezu.ernet.in/dphy/afml/index.php ___________________ D I S C L A I M E R This e-mail may contain privileged information and is intended solely for the individual named. If you are not the named addressee you should not disseminate, distribute or copy this e-mail. Please notify the sender immediately by e-mail if you have received this e-mail in error and destroy it from your system. Though considerable effort has been made to deliver error free e-mail messages but it can not be guaranteed to be secure or error-free as information could be intercepted, corrupted, lost, destroyed, delayed, or may contain viruses. The recipient must verify the integrity of this e-mail message. _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum