Search found 6 matches

by harishpvv
Sat Sep 25, 2021 7:14 am
Forum: Running the code
Topic: Fortran runtime error: End of file
Replies: 1
Views: 3400

Fortran runtime error: End of file

Dear developers and users, This error came just after wannierization ------------------------------------------------------------------- WANNIER : 13.39s CPU 13.66s WALL ( 1 calls) ------------------------------------------------------------------- At line 201 of file elphon_shuffle_wrap.f90 (unit ...
by harishpvv
Wed Sep 08, 2021 12:53 am
Forum: Running the code
Topic: Requiring large memory per pool
Replies: 1
Views: 3344

Requiring large memory per pool

Dear developers and users, When I tried to EM equations on imaginary axis, it is asking for large memory of 5GB per pool. Where as in MgB2 example it is just 0.2 Gb. Solve anisotropic Eliashberg equations on imaginary-axis Total number of frequency points nsiw( 1) = 231 Cutoff frequency wscut = 0 ...
by harishpvv
Tue Sep 07, 2021 4:18 pm
Forum: Running the code
Topic: ndim<=0
Replies: 4
Views: 5340

Re: ndim<=0

Thank you sir, that solved the problem, but another error (not an error)(required memory of 5.6 Gb) appeared Solve anisotropic Eliashberg equations on imaginary-axis Total number of frequency points nsiw( 1) = 231 Cutoff frequency wscut = 0.5014 Size of required memory per pool: ~= 5.6472 Gb akeri ...
by harishpvv
Tue Sep 07, 2021 8:57 am
Forum: Running the code
Topic: ndim<=0
Replies: 4
Views: 5340

ndim<=0

Sir, I got this error while solving Eliashberg equations on imaginary axis: Error in routine mix_broyden (1): ndim <= 0 I tried reducing broyden mixing parameter, but same result, file are attached &inputepw prefix = 'V2' outdir = '/home/harish/Desktop/vsc/scf/' asr_typ = 'simple' dvscf_dir = '/home ...
by harishpvv
Thu Aug 19, 2021 8:37 am
Forum: Running the code
Topic: Error:coarse k-mesh needs to be strictly positive in 1st BZ
Replies: 17
Views: 20987

Re: Error:coarse k-mesh needs to be strictly positive in 1st BZ

Dear all,

How to get rid of negative k-points in nscf.out, I used nosym=.true. in nscf.in but it printed -ve kpoints in output.

Thanks in advance.
Harish