User Activity

  • Posted a comment on discussion Elk Users on Elk

    Hi, I already did so and chose very conservative parameters: #!/bin/bash export OMP_NUM_THREADS=1 export OMP_PROC_BIND=false export OMP_STACKSIZE=64M ulimit -Ss unlimited ~/elk-9.2.12/src/elk But the error persists: +---------------------------------+ | Elk code version 9.2.12 started | +---------------------------------+ Error(readinput): error opening elk.in

  • Posted a comment on discussion Elk Users on Elk

    Hi all, I successfully updated from version 6 to version 9. However, all the make test examples fail and I cannot run the program. This is the error message: Running test in directory test_001... Program received signal SIGILL: Illegal instruction. Backtrace for this error: #0 0x7a0e28c5c70f in ??? #1 0x7a0e2a2d1765 in ??? #2 0x7a0e29b093be in ??? #3 0x61b01f54c06c in ??? #4 0x61b01f584792 in ??? #5 0x61b01f558cd7 in ??? #6 0x61b01f708e86 in ??? #7 0x61b01f71bbd8 in ??? #8 0x61b01f54dcc8 in ??? #9...

  • Posted a comment on discussion Open Discussion on Scid vs. PC

    On my 23 inch screen all the chess pieces are pixelated besides the designs ascii, merida1, paul's. Personally, I would prefer alpha, burnett or merida3. Is there any chance that I could contribute with pieces in higher resolution? Why are the other designs not pixelated? Is it the same format or just exported at a higher dpi size?

  • Posted a comment on discussion Elk Users on Elk

    Hi all, I use the following make.inc file: MAKE = make F90 = gfortran F90_OPTS = -O3 -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch F77 = gfortran F77_OPTS = -O3 -ffast-math -funroll-loops -fopenmp -fallow-argument-mismatch AR = ar LIB_SYS = # LAPACK and BLAS libraries LIB_LPK = lapack.a blas.a LIB_FFT = fftlib.a SRC_OMP = I did not change all the other parameters. I use Arch Linux with Gfortran 11.2.0-4. When I execute "make test". I get a couple of errors: make test cd tests; ./test.sh...

  • Posted a comment on discussion Elk Users on Elk

    Hi everybody, Is possible to split up the Eliashberg function into its contributions from different phonon branches, for example into different transverse and longitudinal phonons? One example would be Fig. 4 of DOI: 10.1103/PhysRevX.6.021003 Thank you and best regards, O.S.

  • Posted a comment on discussion Elk Users on Elk

    Hello everybody, I have a case where a smaller ssxc (spin-scaling parameter) leads to a (little) higher magnetic moment than a higher ssxc. Is this a convergence issue, or could that be physically possible? Best regards and thanks in advance!

  • Posted a comment on discussion Elk Users on Elk

    Under Main authors and contributors (http://elk.sourceforge.net/) there is a person, named Pink Floyd, listed. I want to use this list as a reference in BibTeX. Is this a joke or a nickname or can I trust this list?

  • Posted a comment on discussion Elk Users on Elk

    Hello everybody, I did a spin spiral calculation and everthing went fine. I know that spin spiral + SOC is not implented/doesn't work. I wanted to ask, if there is a possibility to add SOC to a spin spiral calculation non-self-consistently, i.e. as a perturbation/ single shot. I thought about using task 1 to continue a fully converged spin spiral calculation without SOC: my idea was to remove the spin spiral and the magnetic field from the elk.in file and to set spinorb.=true Could that work out?...

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2016-12-12 21:18:30

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