Search found 26 matches
- 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 ...
- 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
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
- 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 %%%%%%%%%%%%%%%%%%%%%%%%%...
- 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...
- 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...
- 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 ...