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exercises:2014_ethz_mmm:tio2_gap

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exercise:tio2_gap [2014/04/10 15:31] oschuettexercise:tio2_gap [2014/04/10 15:36] – [Basis Set] oschuett
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 ===== Required files ===== ===== Required files =====
-  * file with truncation parameters: {{:exercise:t_c_g.dat.gz|}} +==== Parameters for Truncated Coulomb Potential ==== 
-  Restart wave-functionuseful to speed up calculations: {{:exercise:tio2_pbe-restart.wfn.gz|}}+{{:exercise:t_c_g.dat.gz| Download here}} 
 +   
 +==== Restart wave-function ==== 
 + This is useful to speed up the calculation 
 + {{:exercise:tio2_pbe-restart.wfn.gz| Download here}}
  
 <note> These files are compressed with gzip. To unpack them run: <note> These files are compressed with gzip. To unpack them run:
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 ==== Basis Set ==== ==== Basis Set ====
-<code - BASIS_TiO >+<code - BASIS_TiO>
  
 # O # O
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 ''.cif'' = crystallographic information file ''.cif'' = crystallographic information file
  
-<code - tio.cif >+<code - tio.cif>
 #====================================================================== #======================================================================
  
exercises/2014_ethz_mmm/tio2_gap.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1