Cu[Ga,In]Se2,S2 Crystal surface
Posted: Thu May 16, 2013 6:35 pm
Hello Everyone,
I have Cu[Ga,In]Se2,S2 as a bulk now I want to make a crystal surface it,
If any of you can comment on it that how can I do it. Is it done in VASP with ag command or what are the other options.? I am providing the parameters for bulk.
Cu Ga Se
1.0000000000000000
5.7839999999999998 0.0000000000000000 0.0000000000000000
-0.0151042328571368 5.7839802785062986 0.0000000000000000
-0.2024009432768963 -0.5875528241114690 22.6074605282645322
5 5 8
Cartesian
0.0616774278967203 -0.0712990045567670 5.3334905878388827
3.1192499237354006 -0.0860966745045267 13.3665033140426797
2.8710606484217704 2.8355605666610200 10.6338226303874350
4.6480306754564884 3.7034385464597528 8.9163903693928859
0.7739881673899399 2.1591445156142699 8.6395584348273378
2.8620071827175684 2.8685838807457302 4.8073542126275326
4.6445510895073374 3.9943069715199817 14.8498154824507491
1.2112081564288675 1.2509487818697298 14.8305840383482703
0.0896840404940703 -0.0976575050661069 11.0829118632035240
3.0245400888808684 -0.1449313505779469 7.9144866591657221
4.4895165736487321 1.0419510540450816 15.1970474334582963
1.4703826162378468 4.4271823044032734 15.0724520159449025
4.4149176243338584 4.0622031213506613 12.1315288739723854
1.5616954354698398 1.4458298143458814 12.2346762022051827
4.4243177078100677 1.2638780992074699 9.4826865638611189
1.4170489658696293 4.3429052930858489 9.4094612420573753
4.3809441702522101 4.1628971893602991 6.5328022799131418
1.6115463675706914 1.3169531588671206 6.6252023992364704
Please if somebody know that and can help me out so please do comment on it. I will wait for your precious suggestions.
Regards.
I have Cu[Ga,In]Se2,S2 as a bulk now I want to make a crystal surface it,
If any of you can comment on it that how can I do it. Is it done in VASP with ag command or what are the other options.? I am providing the parameters for bulk.
Cu Ga Se
1.0000000000000000
5.7839999999999998 0.0000000000000000 0.0000000000000000
-0.0151042328571368 5.7839802785062986 0.0000000000000000
-0.2024009432768963 -0.5875528241114690 22.6074605282645322
5 5 8
Cartesian
0.0616774278967203 -0.0712990045567670 5.3334905878388827
3.1192499237354006 -0.0860966745045267 13.3665033140426797
2.8710606484217704 2.8355605666610200 10.6338226303874350
4.6480306754564884 3.7034385464597528 8.9163903693928859
0.7739881673899399 2.1591445156142699 8.6395584348273378
2.8620071827175684 2.8685838807457302 4.8073542126275326
4.6445510895073374 3.9943069715199817 14.8498154824507491
1.2112081564288675 1.2509487818697298 14.8305840383482703
0.0896840404940703 -0.0976575050661069 11.0829118632035240
3.0245400888808684 -0.1449313505779469 7.9144866591657221
4.4895165736487321 1.0419510540450816 15.1970474334582963
1.4703826162378468 4.4271823044032734 15.0724520159449025
4.4149176243338584 4.0622031213506613 12.1315288739723854
1.5616954354698398 1.4458298143458814 12.2346762022051827
4.4243177078100677 1.2638780992074699 9.4826865638611189
1.4170489658696293 4.3429052930858489 9.4094612420573753
4.3809441702522101 4.1628971893602991 6.5328022799131418
1.6115463675706914 1.3169531588671206 6.6252023992364704
Please if somebody know that and can help me out so please do comment on it. I will wait for your precious suggestions.
Regards.