Using VASP

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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

1455 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

1163 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

1230 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

1301 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

1680 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

1428 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

969 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

1195 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

1178 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

1852 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

1289 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

2094 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

1723 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

1427 Views

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

Last post by support_vasp « Wed Sep 11, 2024 2:30 pm
Replies: 1
by rgc » Wed Sep 29, 2010 10:31 am

1 Replies

1461 Views

Last post by support_vasp
Wed Sep 11, 2024 2:30 pm
Setting for trigonal (P-3m1, 164) for elastic constant calculation

Last post by support_vasp « Wed Sep 11, 2024 2:30 pm
Replies: 1
by babaleo » Wed Nov 17, 2010 1:52 pm

1 Replies

1334 Views

Last post by support_vasp
Wed Sep 11, 2024 2:30 pm
How to simulate XPS by using VASP.

Last post by support_vasp « Wed Sep 11, 2024 2:29 pm
Replies: 1
by ljx2009 » Sun Nov 14, 2010 1:50 pm

1 Replies

1621 Views

Last post by support_vasp
Wed Sep 11, 2024 2:29 pm
Si(111) surface

Last post by support_vasp « Wed Sep 11, 2024 2:29 pm
Replies: 1
by Oscar_rp » Thu May 27, 2010 10:40 am

1 Replies

1261 Views

Last post by support_vasp
Wed Sep 11, 2024 2:29 pm
p4vasp - molecule geometry

Last post by support_vasp « Wed Sep 11, 2024 2:28 pm
Replies: 1
by benzoic acid » Wed Sep 29, 2010 10:31 am

1 Replies

1608 Views

Last post by support_vasp
Wed Sep 11, 2024 2:28 pm
VBM for indirect gap material

Last post by support_vasp « Wed Sep 11, 2024 2:28 pm
Replies: 1
by mamini » Wed Sep 29, 2010 9:47 am

1 Replies

1086 Views

Last post by support_vasp
Wed Sep 11, 2024 2:28 pm

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