Dear All, I want to run GW calculations for boron-nitride sheet. First I ran a scf calculation for only the gamma point. Then I ran pw4gww.x to get the wannier's matrices. But after some steps I get this error in the log file:
---- forrtl: severe (151): allocatable array is already allocated Image PC Routine Line Source pw4gww.x 0000000000A998FB Unknown Unknown Unknown pw4gww.x 000000000048011D matrix_wannier_ga 274 matrix_wannier_gamma.f90 pw4gww.x 000000000042B848 go_wannier_ 104 wannier.f90 pw4gww.x 0000000000412A02 produce_wannier_g 216 produce_wannier_gamma.f90 pw4gww.x 000000000040D707 MAIN__ 494 pw4gww.f90 pw4gww.x 000000000040C7DE Unknown Unknown Unknown libc.so.6 00007F0EB0E1DB35 Unknown Unknown Unknown pw4gww.x 000000000040C6E9 Unknown Unknown Unknown ----- All the calculations are in parallel for the wave functions. Thank you in advance. Regards, Mortaza Dr Mortaza Aghtar Postdoctoral research fellow Ulm University, Germany
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