Beta-tin Si: Difference between revisions
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== Download == | == Download == | ||
[http://www.vasp.at/vasp-workshop/examples/ | [http://www.vasp.at/vasp-workshop/examples/2_5_beta-tinSi.tgz 2_5_beta-tinSi.tgz] | ||
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Revision as of 18:06, 4 June 2012
- INCAR
System = diamond Si ISMEAR = 0; SIGMA = 0.1; ENMAX = 240 IBRION=2; ISIF=3 ; NSW=15 EDIFF = 0.1E-04 EDIFFG = -0.01
- KPOINTS
k-points 0 Monkhorst Pack 11 11 11 0 0 0
- POSCAR
beta Sn
4.9000000000000
1.0 0.0 0.0
0.0 1.0 0.0
0.5 0.5 0.26
2
Direct
-0.125 -0.375 0.25
0.125 0.375 -0.25
Download
To the list of examples or to the main page