[DFTB-Plus-User] waveplot-cubemanip error

[孙萍萍]

Dear DFTB users,
I am wondering if any of you have used the cubemanip and got a correct result.
In my system I have 3 parts and I would like to see the charge density difference of the three parts.
By doing the following command operation：/cubemanip '(($1)-(($2)+($3)))' ./mha-wp-abs2.cube ./c258-wp-abs2.cube ./tio2-wp-abs2.cube >> diff.cube
But what I got is the following presentation:
Warning: Nr. of atoms in './mha-wp-abs2.cube' and './c258-wp-abs2.cube' differ
Warning: Origins in './mha-wp-abs2.cube' and './c258-wp-abs2.cube' differ!
Warning: Grid vectors in './mha-wp-abs2.cube' and './c258-wp-abs2.cube' differ!
Warning: Grid vectors in './mha-wp-abs2.cube' and './c258-wp-abs2.cube' differ!
Warning: Nr. of atoms in './mha-wp-abs2.cube' and './tio2-wp-abs2.cube' differ
Warning: Origins in './mha-wp-abs2.cube' and './tio2-wp-abs2.cube' differ!
Warning: Grid vectors in './mha-wp-abs2.cube' and './tio2-wp-abs2.cube' differ!
Warning: Grid vectors in './mha-wp-abs2.cube' and './tio2-wp-abs2.cube' differ!

When the generated diff.cube was opened by VMD, unfortunately the results was not what I expected.

In my3 input files, with "PlottedRegion = OptimalCuboid{} " the same keywords, while the 3  the generated wp-abs2.cube, the look like these:

mha-wp-abs2.cube' file generated by WAVEPLOT from data created by DFTB+
Calc-Id: 2120337279, abs2
       915 -0.3538554741E+01 -0.2998029197E+02 -0.5821002632E+01
        50  0.1739376038E+01  0.0000000000E+00  0.0000000000E+00
        50  0.0000000000E+00  0.1806128094E+01  0.0000000000E+00
        50  0.0000000000E+00  0.0000000000E+00  0.1664716535E+01

c258-wp-abs2.cube'  file generated by WAVEPLOT from data created by DFTB+
Calc-Id: 1804654847, abs2
       147  0.1169264412E+02 -0.2261664943E+02 -0.4599651333E+02
        50  0.1074251134E+01  0.0000000000E+00  0.0000000000E+00
        50  0.0000000000E+00  0.1440992111E+01  0.0000000000E+00
        50  0.0000000000E+00  0.0000000000E+00  0.7818494399E+00

tio2-wp-abs2.cube'  file generated by WAVEPLOT from data created by DFTB+
Calc-Id: 1053559680, abs2
       768 -0.5339960345E+01 -0.2996371620E+02 -0.5572606993E+01
        50  0.1746044080E+01  0.0000000000E+00  0.0000000000E+00
        50  0.0000000000E+00  0.1805311552E+01  0.0000000000E+00
        50  0.0000000000E+00  0.0000000000E+00  0.4377307706E+00

 I hope to get your help by finding the mistake to get the correct diff.cube by using cubemanip.

Best wishes.

Hoping to get your good news.
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