Good day all,


I am very new to computational chemistry and have just downloaded  QE I
tried to run an SCI calculation with the attached input script but keep
getting the error message

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine seqopn (99):
     error opening ./out/\aiida.save\paw.txt
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

I also tried to run relax following a youtube video, and I am getting this
error message.



%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     Error in routine seqopn (99):

     error opening ./out/\aiida.save\paw.txt

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

I do not have an idea how to resolve this, and will appreciate your help.



Regards,

Precious Ekwere

Attachment: pwscf.in
Description: Binary data

Attachment: Relax.in
Description: Binary data

_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users

Reply via email to