deprecated-quantum-espresso

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Errors with parse file

1

This content in my espresso.pwi file `&CONTROL tstress = .false. tprnfor = .false. prefix = 'pwscf' calculation = 'scf' verbosity = 'low' nstep = 500 / &SYSTEM !nbnd = 1500...

VictorPulzz

ld1.x gives ' inconsistent rcutv' even when rcutv is positive. No update of the default value?

ivanguilhon

I am getting this error when I run phonon_dos.x. It seems there is a big small endian problem with the "partial_DOS" file, but I am not sure how to resolve...

sherifatawfik

When I run phonon_dos.x, I am getting this error in the hcp ttrinp file due to the presence of the "X" characters there. The error goes when I replace the...

sherifatawfik

Missing File creation Information for Raman Calculation

1

Hi, I'm trying to reproduce [example 15](https://github.com/maxhutch/quantum-espresso/tree/master/PHonon/examples/example15) to calculate Infrared and Raman spectrum. I was able to successfully run pw.x, ph.x and dynmat.x for the ZnO example. But I could...

rambalachandran