vasprun

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ValueError: not enough values to unpack

1

Hi, I'm trying to output dos graph, but I got an error: > Traceback (most recent call last): File "/home/zyl/.local/bin/vasprun", line 105, in test.plot_dos(styles=options.dosplot, filename=options.figname, xlim=lim, smear=options.smear) File "/home/zyl/.local/lib/python3.10/site-packages/vasprun/__init__.py", line...

Makarov3821

From TODO list: A new module ```elastic``` for calculation of the elastic properties from the stress-strain relation based on VASP's ```vasprun.xml``` file. Module ```elastic.CMatrix``` contains a class ```ElasticTensor``` with all...

Mellechowicz

Is the speed of light correct? The value of ```2.99792458e+10``` is in cm/s.

Mellechowicz

(i) ```--fermiEnergy``` command-line argument: As the _spaghetti_ calculations usually do not calculate the Fermi energy properly, for precise analysis, the data from the full Brillouin zone integration is necessary. It...

Mellechowicz

based on K-path, interpolation?

qzhu2017