Using VASP

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aligning DOS plots

Last post by admin « Mon Sep 22, 2008 11:06 am
Replies: 3
by rgc » Fri Sep 19, 2008 12:14 pm

3 Replies

4553 Views

Last post by admin
Mon Sep 22, 2008 11:06 am
How to control the INCAR tags to get the accurate DOSCAR in interface structure?

Last post by admin « Fri Sep 19, 2008 12:14 pm
Replies: 1
by ssaicoda » Fri Sep 19, 2008 1:21 am

1 Replies

3796 Views

Last post by admin
Fri Sep 19, 2008 12:14 pm
transition state problem

Last post by admin « Wed Sep 17, 2008 2:53 pm
Replies: 1
by rghomari » Tue Sep 16, 2008 9:34 pm

1 Replies

3412 Views

Last post by admin
Wed Sep 17, 2008 2:53 pm
Convergence problem

Last post by Jiaye Li « Tue Sep 16, 2008 3:41 am
Replies: 2
by Jiaye Li » Fri Sep 12, 2008 1:55 am

2 Replies

4484 Views

Last post by Jiaye Li
Tue Sep 16, 2008 3:41 am
the same irreducible k-points when setting different KPOINTS?

Last post by linglin « Fri Sep 12, 2008 12:16 pm
Replies: 2
by linglin » Fri Sep 12, 2008 2:37 am

2 Replies

4538 Views

Last post by linglin
Fri Sep 12, 2008 12:16 pm
Error EDDDAV: Call to ZHEGV failed (molecule adsorbed on M(111) surface)

Last post by admin « Fri Sep 12, 2008 11:10 am
Replies: 1
by Agalya » Thu Sep 11, 2008 5:11 pm

1 Replies

4910 Views

Last post by admin
Fri Sep 12, 2008 11:10 am
How to choose ENCUT?

Last post by linglin « Fri Sep 12, 2008 5:01 am
Replies: 3
by linglin » Tue Sep 09, 2008 7:10 am

3 Replies

8866 Views

Last post by linglin
Fri Sep 12, 2008 5:01 am
About the DOS generated by VASP code

Last post by admin « Wed Sep 10, 2008 9:36 am
Replies: 1
by MDrizzle » Wed Sep 10, 2008 7:42 am

1 Replies

3565 Views

Last post by admin
Wed Sep 10, 2008 9:36 am
the format of WAVECAR in vasp 4.5.* and vasp.4.6.*

Last post by admin « Wed Sep 10, 2008 9:35 am
Replies: 1
by deltz » Mon Sep 08, 2008 1:35 pm

1 Replies

3929 Views

Last post by admin
Wed Sep 10, 2008 9:35 am
sadle point optimization problem

Last post by admin « Wed Sep 10, 2008 9:30 am
Replies: 1
by rghomari » Tue Sep 09, 2008 5:15 pm

1 Replies

3409 Views

Last post by admin
Wed Sep 10, 2008 9:30 am
problem with restart/electronic convergence

Last post by admin « Mon Sep 08, 2008 1:39 pm
Replies: 1
by Charles W. Bauschlicher » Thu Sep 04, 2008 4:43 pm

1 Replies

3904 Views

Last post by admin
Mon Sep 08, 2008 1:39 pm
Big total drift

Last post by admin « Wed Sep 03, 2008 1:37 pm
Replies: 2
by Agalya » Tue Sep 02, 2008 2:06 pm

2 Replies

5418 Views

Last post by admin
Wed Sep 03, 2008 1:37 pm
Parameters in OUTCAR different from those in INCAR

Last post by physicalattraction « Fri Aug 29, 2008 11:12 am
Replies: 2
by physicalattraction » Mon Aug 25, 2008 9:19 am

2 Replies

5083 Views

Last post by physicalattraction
Fri Aug 29, 2008 11:12 am
TEBEG & TEEND

Last post by admin « Tue Aug 26, 2008 11:03 am
Replies: 1
by TAT » Wed Aug 20, 2008 10:14 pm

1 Replies

3869 Views

Last post by admin
Tue Aug 26, 2008 11:03 am
optimization

Last post by admin « Tue Aug 26, 2008 10:43 am
Replies: 1
by linglin » Tue Aug 26, 2008 2:12 am

1 Replies

3493 Views

Last post by admin
Tue Aug 26, 2008 10:43 am
Static calculation doesn't yield a close result to the previous relaxation run.

Last post by forsdan « Fri Aug 22, 2008 5:18 am
Replies: 1
by mikehp » Thu Aug 21, 2008 9:58 pm

1 Replies

4453 Views

Last post by forsdan
Fri Aug 22, 2008 5:18 am
Relaxation at different energy cutoffs

Last post by admin « Mon Aug 18, 2008 12:41 pm
Replies: 1
by physicalattraction » Thu Aug 14, 2008 12:33 pm

1 Replies

3675 Views

Last post by admin
Mon Aug 18, 2008 12:41 pm
how to prepare a poscar file for dug molecules.

Last post by fullerene « Fri Aug 15, 2008 4:14 pm
Replies: 3
by gaurav » Fri Aug 01, 2008 1:14 pm

3 Replies

5338 Views

Last post by fullerene
Fri Aug 15, 2008 4:14 pm
Explicit k-points for older VASP version

Last post by mrm « Wed Aug 13, 2008 8:33 pm
Replies: 2
by mrm » Thu Aug 07, 2008 11:17 pm

2 Replies

4202 Views

Last post by mrm
Wed Aug 13, 2008 8:33 pm
Work function on metal oxide surface

Last post by alex « Wed Aug 13, 2008 8:12 pm
Replies: 4
by Jiaye Li » Sun Jun 15, 2008 8:28 am

4 Replies

7561 Views

Last post by alex
Wed Aug 13, 2008 8:12 pm

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