[Wien] pure d-orbital component

[shamik chakrabarti]

Dear Pan Deng,

change the ISPLIT value in case.struct from 8 to 2.....see case.struct file
information in user guide....


On 1/2/10, Pavel Novak <novakp at fzu.cz> wrote:
>
> Dear colleague,
>
> you can use the program QTL - see the usersguide.
>
> Pavel On Sat, 2 Jan 2010, 潘登 wrote:
>
> Dear All,
>>      I was about to calculate the structure of space group Pnma.When
>> plotted the dos of d-orbital for each component such as dz2.Unfortunely,
>> the
>> component was mixed up together,it is impossible to distinguish the t2g
>> and
>> eg.So I am wondering is there an easy way to get the pure component of
>> each
>> orbital.
>>
>>      Thank all.
>>
>>    Pan Deng
>> Nanjing University
>>
>>
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