Thanks Paolo. One more thing I noticed that,if I turn off the LSD it doesn't show the error, it is only showing error with LSD and since I am having transition metal system I need an open shell calculation.
Thank you Regards Rahul > Just change the format from (a,2f12.8,/,a,2f12.8) to (a,f12.8,/,a,f12.8) > > Paolo > > On Fri, Aug 27, 2021 at 3:06 PM <[email protected]> wrote: > >> Hello, >> >> I am trying to perform CP dynamics of magnetic system but I am getting >> an >> format error from a subroutine chargedensity.f90. Below the exact error >> message : >> >> At line 1079 of file chargedensity.f90 (unit = 6, file = 'stdout') >> Fortran runtime error: Expected REAL for item 3 in formatted transfer, >> got >> CHARACTER >> (a,2f12.8,/,a,2f12.8) >> >> Input file attached. >> >> Thank you >> >> Regards >> Rahul_______________________________________________ >> Quantum ESPRESSO is supported by MaX (www.max-centre.eu) >> users mailing list [email protected] >> https://lists.quantum-espresso.org/mailman/listinfo/users > > > > -- > Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, > Univ. Udine, via delle Scienze 206, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users Rahul Verma Department of Chemistry IIT Kanpur _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
