Hello,if I understand correctly, you used the dash character «—» instead of minus sign «-» in many places all over the file.
On 15/07/2024 08:05, Suraj P wrote:
Dear QE users, Im trying to do a relaxation calculation of a Copper unit cell doped with Nickel. 75 % of the atoms are doped with Nickel and the remaining atoms are Copper. During the vc-relax calculation, Im getting an error message as follows, and the calculation gets automatically terminated: ______________________________________________________________________________________________ forrtl: severe (24): end-of-file during read, unit -5, file Internal List-Directed Read Image PC Routine Line Source pw.x 0000000000FE39AB Unknown Unknown Unknown pw.x 00000000010143B2 Unknown Unknown Unknown pw.x 0000000001013138 Unknown Unknown Unknown pw.x 0000000000A03FCC read_cards_module 135 read_cards.f90 pw.x 00000000009230B6 read_input_mp_rea 67 read_input.f90 pw.x 000000000040BF62 MAIN__ 84 pwscf.f90 pw.x 000000000040BDD2 Unknown Unknown Unknown libc-2.17.so 00007F893BB0A555 __libc_start_main Unknown Unknown pw.x 000000000040BCE9 Unknown Unknown Unknown ______________________________________________________________________________ I have attached the input and output files herewith. Kindly help me in troubleshooting this issue. Im using quantum_espresso-6.8 and openmpi-5.0.3 compiler. Thanks regards Suraj Research student,IIT kharagpur _______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing listus...@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
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_______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
