Dear All
I have a very small question about this tutorial.
Can this tutorial input file can be modified to run calculations of physical properties of semi-conductor because as this tutorial is for insulator?
Regards
Radhika
Search found 3 matches
- Mon Aug 06, 2012 7:11 am
- Forum: Response calculations
- Topic: question about the lesson response-function 1 (RF1)
- Replies: 1
- Views: 2580
- Sat Jul 21, 2012 11:20 am
- Forum: Ground state
- Topic: error: incorrect band gap results
- Replies: 1
- Views: 2370
error: incorrect band gap results
Dear All, I have carried out Band Structure Calculation on supercell having 58 atoms (32 Te atoms, 13 Germanium atoms, 13 Antimony atoms & 6 vacancies) of Ge2Sb2Te5 material.I found that the valence band and conduction band are overlapping with each other and which is wrong because The expected ...
- Mon Jul 09, 2012 2:21 pm
- Forum: Ground state
- Topic: pDOS error
- Replies: 0
- Views: 1346
pDOS error
Dear All, I am trying to compute the partial DOS using LDA pseudopotential.The code gets stopped after giving the following error: STOP init_bess_spl Error: need more than one point for the interpolation routines Please suggest me what can be done to remove this error. The log file1 is attached with...