Re: [Wien] plot wave function

Thanks a lot. On Fri, Jan 15, 2016 at 3:53 PM, Elias Assmann wrote: > On 01/15/2016 03:20 AM, Yundi Quan wrote: > > I used lapw7 to generate case.psink which contains the wave > > function on a grid. Is there a program available to plot the data? > > I know that the

[Wien] plot wave function

Hi, I used lapw7 to generate case.psink which contains the wave function on a grid. Is there a program available to plot the data? I know that the wien2wannier has wplot2xsf routine which converts the case.psink and case.psiarg files into case.xsf compatible with xcrysden.

Re: [Wien] plot wave function

You might have a look at $WIENROOT/SRC_lapw7/read.me in WIEN2k 14.2. The text file mentions three source code files (w1gpl.f, w2gpl.f, and WtoGP.f, which are in $WIENROOT/SRC_lapw7/DOC_psink). I have not tried it, but it is my understanding that you can compile them in the DOC_psink

Re: [Wien] plot wave function

Thanks. But it looks like that charge density is only plotted on a two dimensional plane. Is there a way to plot the 3D wave function (abs and the sign as phase)? On Fri, Jan 15, 2016 at 12:53 PM, Gavin Abo wrote: > You might have a look at $WIENROOT/SRC_lapw7/read.me

Re: [Wien] plot wave function

On 01/15/2016 03:20 AM, Yundi Quan wrote: > I used lapw7 to generate case.psink which contains the wave > function on a grid. Is there a program available to plot the data? > I know that the wien2wannier has wplot2xsf routine which converts > the case.psink and case.psiarg files into case.xsf

[Wien] plot wave function with lapw7

Hi Prof. Blaha, What's the procedure of plotting wave function with lapw7? Is it the same with plotting charge density with lapw5? I cannot find a note about this in usersguide. Thanks a lot. Best, -- next part -- An HTML attachment was scrubbed... URL: