Search found 26 matches

by yq_zhao
Fri Apr 16, 2021 6:33 am
Forum: General discussion
Topic: Error during EPW calculation for 2H-NbS2
Replies: 3
Views: 2480

Error during EPW calculation for 2H-NbS2

dear EPW developer during EPW calculation for 2H-NbS2, the calculation of pw.x is right, this is an error report: - Number of bands is ( 40) - Number of total bands is ( 40) - Number of excluded bands is ( 0) - Number of wannier functions is ( 6) - All guiding functions are given Reading data about ...
by yq_zhao
Tue Apr 13, 2021 8:59 am
Forum: Running the code
Topic: problems calculating the superconducting gap and Tc using The Eliashberg formalism
Replies: 2
Views: 2508

Re: problems calculating the superconducting gap and Tc using The Eliashberg formalism

thanks for your repeat

I have repeat the example of MgB2, but Nb is transition matel, have d electric. So is it necessary to add magnetism related parameters in the input file of pw.x
by yq_zhao
Tue Apr 13, 2021 8:51 am
Forum: General discussion
Topic: Error in routine epw_readin (1): reading input file
Replies: 1
Views: 2324

Error in routine epw_readin (1): reading input file

dear EPW developer during I run epw.x, an error occurred while reading the input file there is an error reported: Parallel version (MPI), running on 1 processors MPI processes distributed on 1 nodes Waiting for input... Waiting for input... Reading input from standard input %%%%%%%%%%%%%%%%%%%%%%%%%...
by yq_zhao
Sun Apr 11, 2021 2:14 pm
Forum: Running the code
Topic: Error in routine read_xml_file (4): fatal error reading xml file
Replies: 5
Views: 7871

Re: Error in routine read_xml_file (4): fatal error reading xml file

dear h.lee i have check the inputs or outputs of scf or nscf calculations. it's all done and there's no error. out is total cpu time spent up to now is 3555.3 secs End of self-consistent calculation Number of k-points >= 100: set verbosity='high' to print the bands. the Fermi energy is 0.3018 ev ! t...
by yq_zhao
Sun Apr 11, 2021 2:14 pm
Forum: Running the code
Topic: problems calculating the superconducting gap and Tc using The Eliashberg formalism
Replies: 2
Views: 2508

problems calculating the superconducting gap and Tc using The Eliashberg formalism

dear EPW user I am still having problems calculating the superconducting gap and Tc using The Eliashberg formalism.but getting an error: Reading supplied temperature list. Reading xml data from directory: ./NbS2.save/ Message from routine qes_read:magnetizationType: do_magnetization: wrong number of...
by yq_zhao
Thu Apr 01, 2021 8:30 am
Forum: Running the code
Topic: Error in routine read_xml_file (4): fatal error reading xml file
Replies: 5
Views: 7871

Error in routine read_xml_file (4): fatal error reading xml file

hey EPW user I am still having problems calculating the superconducting gap and Tc using The Eliashberg formalism.but getting an error: Reading supplied temperature list. Reading xml data from directory: ./NbS2.save/ Message from routine qes_read:magnetizationType: do_magnetization: wrong number of ...