Using VASP

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Could ELF be calculated at ICHARG = 11 after a as-converged static SCF sun?

Last post by support_vasp « Wed Sep 11, 2024 2:32 pm
Replies: 1
by cenwanglai » Tue Dec 14, 2010 7:51 am

1 Replies

3072 Views

Last post by support_vasp
Wed Sep 11, 2024 2:32 pm
meta-GGA(TPSS, rev-TPSS)

Last post by support_vasp « Wed Sep 11, 2024 2:32 pm
Replies: 1
by nabear » Tue Dec 14, 2010 2:17 am

1 Replies

3265 Views

Last post by support_vasp
Wed Sep 11, 2024 2:32 pm
DOSCAR from PROCAR

Last post by support_vasp « Wed Sep 11, 2024 2:32 pm
Replies: 1
by swarnakamal » Tue Dec 07, 2010 10:16 am

1 Replies

2558 Views

Last post by support_vasp
Wed Sep 11, 2024 2:32 pm
the unit of 'RCORE' in POTCAR and INCAR

Last post by support_vasp « Wed Sep 11, 2024 2:32 pm
Replies: 1
by fegg7502 » Mon Dec 06, 2010 1:54 am

1 Replies

3421 Views

Last post by support_vasp
Wed Sep 11, 2024 2:32 pm
k-points setting

Last post by support_vasp « Wed Sep 11, 2024 2:32 pm
Replies: 1
by yellowice » Thu Dec 02, 2010 2:53 am

1 Replies

2433 Views

Last post by support_vasp
Wed Sep 11, 2024 2:32 pm
FAST calculation

Last post by support_vasp « Wed Sep 11, 2024 2:32 pm
Replies: 1
by kmkumar » Mon Nov 29, 2010 4:07 pm

1 Replies

2803 Views

Last post by support_vasp
Wed Sep 11, 2024 2:32 pm
Need help to understand FORCES in OUTCAR file

Last post by support_vasp « Wed Sep 11, 2024 2:31 pm
Replies: 1
by babaleo » Wed Nov 24, 2010 6:45 pm

1 Replies

2883 Views

Last post by support_vasp
Wed Sep 11, 2024 2:31 pm
about dipole correction

Last post by support_vasp « Wed Sep 11, 2024 2:31 pm
Replies: 1
by lgxyz » Sat Nov 20, 2010 6:34 am

1 Replies

2602 Views

Last post by support_vasp
Wed Sep 11, 2024 2:31 pm
dielectric tensor problem

Last post by support_vasp « Wed Sep 11, 2024 2:31 pm
Replies: 1
by zhu » Fri Nov 19, 2010 7:14 am

1 Replies

2796 Views

Last post by support_vasp
Wed Sep 11, 2024 2:31 pm
Readable WAVECAR

Last post by support_vasp « Wed Sep 11, 2024 2:31 pm
Replies: 1
by hpaudel » Fri Jul 09, 2010 5:22 pm

1 Replies

2743 Views

Last post by support_vasp
Wed Sep 11, 2024 2:31 pm
How to calculate the stacking fault energy？

Last post by support_vasp « Wed Sep 11, 2024 2:31 pm
Replies: 1
by dyc_2008 » Mon Dec 27, 2010 8:07 am

1 Replies

3124 Views

Last post by support_vasp
Wed Sep 11, 2024 2:31 pm
"NBANDS = number of occupied bands" in HF-type calculations?

Last post by support_vasp « Wed Sep 11, 2024 2:31 pm
Replies: 1
by ctcp-nz » Mon Aug 03, 2009 2:51 am

1 Replies

2727 Views

Last post by support_vasp
Wed Sep 11, 2024 2:31 pm
Spin values.

Last post by support_vasp « Wed Sep 11, 2024 2:31 pm
Replies: 1
by aarthi_jagan » Wed Oct 20, 2010 9:52 am

1 Replies

2337 Views

Last post by support_vasp
Wed Sep 11, 2024 2:31 pm
band gap opening on Gamma

Last post by support_vasp « Wed Sep 11, 2024 2:31 pm
Replies: 1
by giacomo giorgi » Sat Oct 16, 2010 6:56 am

1 Replies

2701 Views

Last post by support_vasp
Wed Sep 11, 2024 2:31 pm
Standard state energy

Last post by support_vasp « Wed Sep 11, 2024 2:30 pm
Replies: 1
by teabee » Thu Oct 14, 2010 11:02 am

1 Replies

2616 Views

Last post by support_vasp
Wed Sep 11, 2024 2:30 pm
WORK FUNCTION CAL OF METAL-SEMICONDUCTOR SYSTEM

Last post by support_vasp « Wed Sep 11, 2024 2:30 pm
Replies: 1
by Abdul Wasey » Tue Oct 12, 2010 10:44 am

1 Replies

3340 Views

Last post by support_vasp
Wed Sep 11, 2024 2:30 pm
valence electron change in LDA+U and core charge calculation

Last post by support_vasp « Wed Sep 11, 2024 2:30 pm
Replies: 1
by montywang » Fri Oct 08, 2010 1:21 am

1 Replies

2821 Views

Last post by support_vasp
Wed Sep 11, 2024 2:30 pm
Some questions regarding MD calculations

Last post by support_vasp « Wed Sep 11, 2024 2:30 pm
Replies: 1
by TING QIN » Wed Oct 06, 2010 9:33 am

1 Replies

3578 Views

Last post by support_vasp
Wed Sep 11, 2024 2:30 pm
inclusion of solvation effect

Last post by support_vasp « Wed Sep 11, 2024 2:30 pm
Replies: 1
by luke419 » Wed Oct 06, 2010 8:15 am

1 Replies

3215 Views

Last post by support_vasp
Wed Sep 11, 2024 2:30 pm
DOS problem with increasing k-POINTS

Last post by support_vasp « Wed Sep 11, 2024 2:30 pm
Replies: 1
by shpkl » Fri Oct 01, 2010 4:06 am

1 Replies

2823 Views

Last post by support_vasp
Wed Sep 11, 2024 2:30 pm

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