Using VASP

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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

2681 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

1983 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

4534 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

1587 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

2022 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

7236 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

2708 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

2241 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

2321 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

5433 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

1634 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

2248 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

3137 Views

Last post by apple
Wed Aug 10, 2011 11:26 pm
Bandgap from multiple k-points

Last post by tlchan « Wed Aug 10, 2011 10:46 am
Replies: 1
by Dr Vitaly V. G. Chaban » Mon Aug 08, 2011 10:51 pm

1 Replies

1898 Views

Last post by tlchan
Wed Aug 10, 2011 10:46 am
Hybrid functional spin-polarized calculation

Last post by whao137 « Tue Aug 09, 2011 5:54 pm
Replies: 2
by whao137 » Tue Aug 09, 2011 2:35 pm

2 Replies

2228 Views

Last post by whao137
Tue Aug 09, 2011 5:54 pm
converging ions with VASP5.2

Last post by Danny « Sun Aug 07, 2011 3:11 pm
Replies: 4
by Danny » Tue Jul 12, 2011 7:37 pm

4 Replies

3156 Views

Last post by Danny
Sun Aug 07, 2011 3:11 pm
How to determine fermi level in DOS calculation of a bulk crystallite

Last post by tlchan « Sat Aug 06, 2011 7:56 pm
Replies: 1
by lamha » Thu Aug 04, 2011 3:47 am

1 Replies

2731 Views

Last post by tlchan
Sat Aug 06, 2011 7:56 pm
Problem on Berry phase calculation

Last post by jlbettis « Thu Aug 04, 2011 2:00 am
Replies: 2
by ericsun » Sun Apr 09, 2006 9:09 am

2 Replies

3511 Views

Last post by jlbettis
Thu Aug 04, 2011 2:00 am
entropy calculations

Last post by kambiz « Wed Aug 03, 2011 7:09 am
Replies: 1
by Babeusz » Tue Aug 02, 2011 12:57 pm

1 Replies

2459 Views

Last post by kambiz
Wed Aug 03, 2011 7:09 am
Elastic band method

Last post by sharma « Mon Aug 01, 2011 7:08 am
Replies: 2
by sharma » Thu Jul 28, 2011 4:37 am

2 Replies

1978 Views

Last post by sharma
Mon Aug 01, 2011 7:08 am

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