Using VASP

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CONTCAR format changed in VASP 5.X?

Last post by Danny « Fri Apr 02, 2010 10:46 am
Replies: 2
by Danny » Fri Apr 02, 2010 9:12 am

2 Replies

1536 Views

Last post by Danny
Fri Apr 02, 2010 10:46 am
How to set smass parameter when doing MD calculation

Last post by fanghz « Fri Apr 02, 2010 8:30 am
Replies: 2
by fanghz » Fri Apr 02, 2010 2:41 am

2 Replies

2588 Views

Last post by fanghz
Fri Apr 02, 2010 8:30 am
Problem in Hybrid function calculation:number of k-points incorrect 14

Last post by superyoyo « Thu Apr 01, 2010 11:47 am
Replies: 2
by limaojlu » Tue Jan 05, 2010 2:03 pm

2 Replies

4833 Views

Last post by superyoyo
Thu Apr 01, 2010 11:47 am
How to restart relaxation of cell shape/volume?; ISTART = 2; "Coefficients changed" error

Last post by boris « Tue Mar 30, 2010 12:35 pm
Replies: 1
by kevin.driver » Mon Mar 29, 2010 8:32 pm

1 Replies

4908 Views

Last post by boris
Tue Mar 30, 2010 12:35 pm
LASPH-tag in VASP 5.2

Last post by Danny « Mon Mar 29, 2010 2:01 pm
Replies: 2
by Danny » Mon Mar 29, 2010 1:32 pm

2 Replies

3232 Views

Last post by Danny
Mon Mar 29, 2010 2:01 pm
DOS

Last post by alex « Sun Mar 28, 2010 11:20 am
Replies: 2
by TAT » Sun Mar 28, 2010 1:29 am

2 Replies

1791 Views

Last post by alex
Sun Mar 28, 2010 11:20 am
cell optimization

Last post by forsdan « Sun Mar 28, 2010 8:32 am
Replies: 1
by ntuxi » Sun Mar 28, 2010 7:23 am

1 Replies

1730 Views

Last post by forsdan
Sun Mar 28, 2010 8:32 am
Bench.Hg and Benchmark results VASP

Last post by admin « Thu Mar 25, 2010 11:30 am
Replies: 10
by dnumb » Thu Feb 18, 2010 2:37 pm

10 Replies

4707 Views

Last post by admin
Thu Mar 25, 2010 11:30 am
Problem Obtaining Phonons with VASP 5.2

Last post by admin « Wed Mar 24, 2010 10:02 am
Replies: 1
by tyson » Fri Mar 19, 2010 1:23 pm

1 Replies

2423 Views

Last post by admin
Wed Mar 24, 2010 10:02 am
DOSCAR and Projected DOS

Last post by admin « Mon Mar 22, 2010 3:59 pm
Replies: 1
by tommy91779 » Wed Mar 17, 2010 8:40 pm

1 Replies

3087 Views

Last post by admin
Mon Mar 22, 2010 3:59 pm
Fermi energy in band calculation

Last post by admin « Mon Mar 22, 2010 3:53 pm
Replies: 1
by hfruchtl » Wed Mar 17, 2010 12:35 am

1 Replies

2365 Views

Last post by admin
Mon Mar 22, 2010 3:53 pm
NEB calculation (2nd thread)

Last post by ccccc « Mon Mar 22, 2010 2:36 pm
Replies: 10
by ccccc » Mon Mar 08, 2010 9:56 am

10 Replies

6516 Views

Last post by ccccc
Mon Mar 22, 2010 2:36 pm
fremi energy, band gap

Last post by coulomb « Sat Mar 20, 2010 12:14 pm
Replies: 7
by yilmaz » Mon Nov 21, 2005 3:35 am

7 Replies

12341 Views

Last post by coulomb
Sat Mar 20, 2010 12:14 pm
Constraining the direction of magnetic moments

Last post by caokun « Fri Mar 19, 2010 9:59 am
Replies: 2
by caokun » Thu Mar 18, 2010 4:25 pm

2 Replies

2725 Views

Last post by caokun
Fri Mar 19, 2010 9:59 am
Parallel Version of VASP Under Windows OS?

Last post by admin « Thu Mar 18, 2010 12:32 pm
Replies: 2
by maryam » Tue Feb 09, 2010 7:55 pm

2 Replies

1971 Views

Last post by admin
Thu Mar 18, 2010 12:32 pm
Comparing band structures of the clean surface and the Molecule+Surface

Last post by admin « Thu Mar 18, 2010 12:25 pm
Replies: 4
by Oscar_rp » Tue Jan 12, 2010 1:51 pm

4 Replies

2312 Views

Last post by admin
Thu Mar 18, 2010 12:25 pm
smearing and the energy

Last post by admin « Thu Mar 18, 2010 12:21 pm
Replies: 4
by konglt » Wed Sep 21, 2005 5:53 pm

4 Replies

3130 Views

Last post by admin
Thu Mar 18, 2010 12:21 pm
DOS problem

Last post by Danny « Wed Mar 17, 2010 9:18 am
Replies: 3
by zhu » Thu Mar 11, 2010 4:52 am

3 Replies

2656 Views

Last post by Danny
Wed Mar 17, 2010 9:18 am
How to add both Ud and Uf during my calculation with Medea Vasp?

Last post by liuhuimeiwoo « Wed Mar 17, 2010 8:24 am
Replies: 2
by liuhuimeiwoo » Fri Feb 26, 2010 3:16 am

2 Replies

2155 Views

Last post by liuhuimeiwoo
Wed Mar 17, 2010 8:24 am
modelling +ve charged ions

Last post by admin « Tue Mar 16, 2010 3:57 pm
Replies: 1
by TAT » Fri Mar 12, 2010 4:23 am

1 Replies

1741 Views

Last post by admin
Tue Mar 16, 2010 3:57 pm

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