abinit/abinit

Issues

• fftw3 with threads

  #66 opened 8 months ago by zerothi
  3

• Error running eph4mob tutorial

  #71 opened 3 months ago by burubaxair
  0

• Abinit with multibinit compile error

  #70 opened 4 months ago by albenstein
  0

• Python 3.12 incompatibilities

  #69 opened 4 months ago by ArrayBolt3
  1

• 9.10.4 is a tag but is not a release

  #68 opened 5 months ago by yurivict
  0

• issue with Intel compiler 2021

  #67 opened 5 months ago by udonj
  0

• error in calculations with spin polarization, abinit with gpu support

  #65 opened 9 months ago by wamuriel
  1

• Error: Type mismatch in argument 'block_displ' at (1); passed INTEGER(8) to INTEGER(4)

  #61 opened a year ago by barracuda156
  10

• `h5pcc -showconfig` not working for my HDF5 build?

  #56 opened a year ago by RonRahaman
  1

• Is it possible to calculate the shg-density?

  #50 opened a year ago by qingtianya-wyt
  2

• Abinit no output file

  #49 opened a year ago by code-whale
  1

• some problems with compling the abinit

  #48 opened a year ago by zc994646659
  1

• 9.2.2 testsuite failures on MIPS architectures

  #44 opened a year ago by mbanck
  3

• output BLZTRP.tau_k for optdriver=7

  #38 opened a year ago by goodwilling
  3

• Compilation Error in etime.c

  #23 opened a year ago by s0vereign
  1

• testsuite timeout failure is non-obvious

  #16 opened a year ago by mbanck
  0

• Abinit installation problem

  #62 opened a year ago by lolloso00
  3

• Many tests print RuntimeError: Cannot find `make.log` file in `/usr/ports/science/abinit/work/abinit-9.8.4`.

  #64 opened a year ago by yurivict
  0

• Berryopt not working with PAW + non-collinear spin

  #60 opened a year ago by dbennett1994
  1

• Extract data from _DOS file

  #59 opened a year ago by code-whale
  1

• Dockerfile

  #57 opened 2 years ago by mretegan
  2

• Asymmetric Fermi window

  #58 opened 2 years ago by Radioteddy
  2

• Compilation error in libxc_tools.c with libXC 6.0.0

  #55 opened 2 years ago by thierry-FreeBSD
  3

• Elastic constant calculation (DFPT+PAW+PBEsol)

  #52 opened 2 years ago by frssp
  2

• [9.6.2] Huge memory consumption makes any optic calculation impossible

  #51 opened 2 years ago by Youjin1985
  1

• Wavefunctions not converged for ikpt: 1, nnsclo: 100, max resid: 9.23276E-06 ...

  #54 opened 2 years ago by Dwiunzila
  1

• Confusing parameter name

  #53 opened 2 years ago by frssp
  1

• getwfq_filepath ignored by eph driver, recommended solution

  #45 opened 2 years ago by tyst3273
  2

• Why Fermi level 5.108 in Aluminium?

  #47 opened 3 years ago by namelessenko
  4

• Installation of 9.0.4 on Mac OS fails (netcdf_fortran)

  #35 opened 3 years ago by agiliopadua
  1

• Build fails with gcc-10: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)).

  #41 opened 3 years ago by yurivict
  0

• gcc-10: Error: Type mismatch between actual argument at (1) and actual argument at (2) (INTEGER(8)/INTEGER(4)).

  #40 opened 3 years ago by yurivict
  1

• Build and Execute issues with Fujitsu compiler

  #43 opened 3 years ago by t-karatsu
  2

• build failure "Cannot open module file ‘m_specialmsg.mod’ for reading"

  #42 opened 3 years ago by mbanck
  1

• Compile error with Ubuntu 20.04 standard libraries

  #39 opened 4 years ago by askhl
  5

• Error from prtkbff2

  #17 opened 3 years ago by WFKala
  2

• UPF in Abinit

  #36 opened 4 years ago by gulans
  4

• compile error in 8.10.3 with gfortan-10.2

  #37 opened 4 years ago by mbanck
  2

• 8.10.3: missing routine interface

  #32 opened 4 years ago by zerothi
  10

• help with MPI installation...

  #34 opened 4 years ago by miroi
  1

• configure: error: MPI support does not work

  #33 opened 4 years ago by miroi
  1

• The calculation of Reflectivity

  #31 opened 4 years ago by houzf
  1

• error: no member named 'n_ext_params' in 'xc_func_info_type'; did you mean 'ext_params'?

  #30 opened 4 years ago by yurivict
  5

• 9.0.4: configure is broken: it fails to find libxc

  #29 opened 4 years ago by yurivict
  5

• 8.10.3 release missing on GitHub

  #27 opened 4 years ago by mbanck
  8

• Test suite segfaults with gfortran 9.2.1

  #25 opened 4 years ago by mbanck
  5

• make error in m_polynomial_coeff.F90

  #28 opened 4 years ago by xinxin-C
  1

• compile error with gfortran 9.2.1

  #24 opened 5 years ago by mbanck
  3

• [regression] Version 8.10.3 fails on i386 architecture

  #19 opened 5 years ago by yurivict
  1

• Installs a wrong .pc file

  #18 opened 5 years ago by yurivict
  1