mitsuaki1987 / sctk

Superconducting-Toolkit (SCTK) is a first-principles program package based on density functional theory for superconductors (SCDFT)
https://mitsuaki1987.github.io/sctk/
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format of datafiles in pwscf.save #21

Open ZHIXINimd opened 7 months ago

ZHIXINimd commented 7 months ago

I hope this message finds you well.

I am encountering an issue while running sctk.x, which I hope you can assist me with. The error message I receive is as follows:

%%%%%%%%%%%%%%%%%%5 task # 4 from read_rhog : error # 1 error reading file ./pwscf.save/charge-density %%%%%%%%%%%%%%%%

Upon investigation, I discovered that the program expects .dat files, but the files I have are in .hdf5 format. Are you aware of any methods or workarounds to enable the program to read .hdf5 files? Your expertise and advice on this matter would be greatly appreciated.

Thank you for your time and assistance.

Best regards,

Bruce Wang