ABINIT Discussion Forums

yes. It works.. Thank you so much jbeuken...

Hello everyone.. I am new to abinit. I am trying to install abinit in parallel on a cluster. Upto configure command, it works correctly but after giving "make mj4" command it gives following error: make[2]: [all-local] Error 2 (ignored) Checking build of libxc fallback test -e stamps/libxc...

Hello. I am calculating PDOS for 28 atoms system of 16 ZnO atoms and 12 Arginine atoms. But job stops suddenly after a point. the error is like.. ETOT 137 -616.46681677876 4.531E-07 1.066E-06 2.609E+01 6.010E-04 2.377E-02 scprqt: <Vxc>= -2.2459777E-01 hartree At SCF step 137, etot is converged : for...

Hello. I am doing the calculation for PDOS of a system containing 28 atoms. but after convergence reached, job stops automatically and pdos files are not formed. the error is like.... ETOT 137 -616.46681677876 4.531E-07 1.066E-06 2.609E+01 6.010E-04 2.377E-02 scprqt: <Vxc>= -2.2459777E-01 hartree At...

Hello.
I am new to ABINIT.
I am trying to run a job for partial density of states of 28 atoms. But job stops suddenly before completion . I can't understand the error. So kindly help me. Input file and the log file is attached.

thank you so much..