[Pw_forum] similar to WAVECAR and CHGCAR in VASP

[Lorenzo Paulatto]

On Monday, August 03, 2015 07:29:56 PM Amir wrote:
> When we run a calculation in VASP, it makes WAVECAR and CHGCAR files that
> can be used as input file for further calculations, for example, if we want
> to increase the number of k points or increase the cut off energy. It is
> also very useful, especially, if you want to continue a relaxation without
> doing the first loop of self-consistent calculation since we already have
> the charge density for the initial structure. Is there such thing in QE?

Dear amir,
You've chosen the worst possible way to describe what you need: Analogy to the 
internal features of an extremely expensive competing code. 

In pw.x there is normally no way to restart a calculation with a different 
cutoff, however if the code finds an existing charge density file when 
restarting, it will use it.

You may also look at calculation="nscf" or calculation="bands". 

kind regards

-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
+33 (0)1 44 275 084 / skype: paulatz
http://www.impmc.upmc.fr/~paulatto/
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