[Wien] electron density map and electron difference density map for TiC

[Zhou Bing]

Dear all,

Following the UG and using w2web, I tried to plot the electron density and electron difference density diagrams for TiC. However, the two diagrams are exactly same one! could you please give me some suggestions and advices to fix the problem? thanks in advance!

PS: "x lapw2 -c " failed, so I used "x lapw2", while "x lapw5 -c" had to be used because "x lapw5" did not work, I do not know if such situation is relavent:

Bing  



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