Using VASP

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dipol+quadrupol energy correction too large

Last post by admin « Wed Aug 31, 2011 4:48 pm
Replies: 1
by zsoltrak » Thu Aug 11, 2011 8:28 pm

1 Replies

3826 Views

Last post by admin
Wed Aug 31, 2011 4:48 pm
Negative work function

Last post by admin « Wed Aug 31, 2011 4:46 pm
Replies: 2
by ukponga » Wed Aug 03, 2011 6:09 pm

2 Replies

3599 Views

Last post by admin
Wed Aug 31, 2011 4:46 pm
Total Self Consistent Potential from Medea-VASP

Last post by admin « Wed Aug 31, 2011 4:41 pm
Replies: 1
by ukponga » Wed Aug 03, 2011 4:16 pm

1 Replies

3126 Views

Last post by admin
Wed Aug 31, 2011 4:41 pm
Rotation for local coordinates

Last post by admin « Wed Aug 31, 2011 4:34 pm
Replies: 1
by leostorm10 » Tue Aug 16, 2011 8:11 pm

1 Replies

3444 Views

Last post by admin
Wed Aug 31, 2011 4:34 pm
New functionals and their keywords

Last post by admin « Wed Aug 31, 2011 4:32 pm
Replies: 1
by Dr Vitaly V. G. Chaban » Wed Aug 24, 2011 1:09 am

1 Replies

2522 Views

Last post by admin
Wed Aug 31, 2011 4:32 pm
Relaxing problem for Pd cluster (2atoms)

Last post by admin « Wed Aug 31, 2011 4:29 pm
Replies: 1
by s9811016 » Wed Aug 24, 2011 1:51 pm

1 Replies

3338 Views

Last post by admin
Wed Aug 31, 2011 4:29 pm
A molecule in a large system. Convergence

Last post by admin « Wed Aug 31, 2011 4:26 pm
Replies: 1
by Dr Vitaly V. G. Chaban » Fri Aug 26, 2011 8:03 pm

1 Replies

2442 Views

Last post by admin
Wed Aug 31, 2011 4:26 pm
Why the CHGCAR is negative?

Last post by Danny « Sat Aug 27, 2011 11:32 pm
Replies: 1
by yiranwang » Fri Aug 26, 2011 6:04 am

1 Replies

3820 Views

Last post by Danny
Sat Aug 27, 2011 11:32 pm
problem with phonon calculation with IBRION=8

Last post by rgc « Sat Aug 27, 2011 8:42 pm
Replies: 1
by rgc » Mon Aug 22, 2011 6:42 pm

1 Replies

3077 Views

Last post by rgc
Sat Aug 27, 2011 8:42 pm
How to inter the MAGMOM tag in a noncollinear calculation?

Last post by jlbettis « Thu Aug 25, 2011 8:04 pm
Replies: 3
by mxiangying » Sat Aug 20, 2011 3:04 pm

3 Replies

6417 Views

Last post by jlbettis
Thu Aug 25, 2011 8:04 pm
Why ICHARG=11 also need many electronic loops?

Last post by jlbettis « Tue Aug 23, 2011 7:27 pm
Replies: 1
by gbliu » Wed Aug 17, 2011 7:37 pm

1 Replies

2724 Views

Last post by jlbettis
Tue Aug 23, 2011 7:27 pm
Memory issue for spin-polarized calculation

Last post by alex « Tue Aug 23, 2011 5:42 pm
Replies: 1
by CStar » Tue Aug 23, 2011 5:09 pm

1 Replies

3232 Views

Last post by alex
Tue Aug 23, 2011 5:42 pm
Routine ZPOTRF failed!

Last post by dhfphysics « Mon Aug 22, 2011 9:55 am
Replies: 4
by jlrch » Fri Mar 17, 2006 11:57 am

4 Replies

9433 Views

Last post by dhfphysics
Mon Aug 22, 2011 9:55 am
non-zero charge in vacuum in PARCHG

Last post by satish2414 « Sun Aug 21, 2011 4:24 pm
Replies: 3
by brocks » Thu Nov 02, 2006 12:12 pm

3 Replies

4137 Views

Last post by satish2414
Sun Aug 21, 2011 4:24 pm
Density of states problem

Last post by leostorm10 « Tue Aug 16, 2011 8:08 pm
Replies: 2
by leostorm10 » Mon Aug 15, 2011 7:22 pm

2 Replies

3719 Views

Last post by leostorm10
Tue Aug 16, 2011 8:08 pm
XAS in vasp?

Last post by chorawut « Mon Aug 15, 2011 2:31 pm
Replies: 1
by pimeson » Thu Jun 16, 2011 7:14 pm

1 Replies

3346 Views

Last post by chorawut
Mon Aug 15, 2011 2:31 pm
change in k-point error

Last post by uccakar « Sat Aug 13, 2011 8:58 pm
Replies: 2
by uccakar » Sat Aug 13, 2011 4:08 pm

2 Replies

7605 Views

Last post by uccakar
Sat Aug 13, 2011 8:58 pm
poscar for cnt

Last post by alex « Thu Aug 11, 2011 5:48 pm
Replies: 1
by revanth » Thu Aug 11, 2011 3:31 pm

1 Replies

2704 Views

Last post by alex
Thu Aug 11, 2011 5:48 pm
velocity Correlation function related to viscosity

Last post by ukponga « Thu Aug 11, 2011 1:16 pm
Replies: 2
by s9811016 » Sun Jul 24, 2011 12:14 am

2 Replies

3787 Views

Last post by ukponga
Thu Aug 11, 2011 1:16 pm
surface with adsorbates

Last post by apple « Wed Aug 10, 2011 11:26 pm
Replies: 6
by apple » Fri Jul 22, 2011 3:24 am

6 Replies

5270 Views

Last post by apple
Wed Aug 10, 2011 11:26 pm

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