Invalid digit error

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Invalid digit error

Postby TimShih » Wed Apr 11, 2018 3:47 am

Dear all:

I've confronted some errors when I run my script by the VASP of 5.4.4 version, please help me figure out why they happened.
Thank you!!

-----------------------------------Log file------------------------------------------------------------------
running on 2048 total cores
distrk: each k-point on 2048 cores, 1 groups
distr: one band on 16 cores, 128 groups
using from now: INCAR
vasp.5.4.4.18Apr17-6-g9f103f2a35 (build Jan 30 2018 21:11:38) complex
"pseudo.f90", line 293: 1525-097 A READ statement using decimal base input found the invalid digit 'M' in the input file. The program will recover by assuming a zero in its place.
"pseudo.f90", line 343: 1525-097 A READ statement using decimal base input found the invalid digit 'M' in the input file. The program will recover by assuming a zero in its place.
"pseudo.f90", line 346: 1525-097 A READ statement using decimal base input found the invalid digit 'M' in the input file. The program will recover by assuming a zero in its place.

---------------------------------INCAR-------------------------------------------------------------------------
SYSTEM =50MgO-50SiO2-3500K
ALGO = VeryFast
PREC = Normal
MAXMIN = 100
ENCUT = 600
NELMIN = 4
NELM = 40
EDIFF = 5E-7
EDIFFG = -1E-2
IBRION =0
POTIM = 1.0
NSW =200
TEBEG=3500
SMASS=1
ISIF=2
IWAVPR=11
ISYM = 0
ISTART =0
ICHARG =2
ISMEAR = 0
SIGMA=0.1
LREAL =Auto
LCHARG = .TRUE.
GGA = PS
LPLANE=.TRUE.
NCORE=16
LSCALU=.FALSE.
NSIM=4

-----------------------------KPOINT-----------------------------------------------------------------------
automatic mesh
0
G
1 1 1
0 0 0

------------------------Initial part of POSCAR------------------------------------------------------------
SYSTEME 50MgO-50SiO2-3500K
16.9500000000000
1.0000000000000000 0.0000000000000000 0.0000000000000000
0.0000000000000000 1.0000000000000000 0.0000000000000000
0.0000000000000000 0.0000000000000000 1.0000000000000000
O Si Mg
240 80 80
Direct
0.594118 0.851764 0.00276688
----------------------------------------------------------------------------------------------------------------
TimShih
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Posts: 1
Joined: Thu Apr 05, 2018 5:45 pm

Re: Invalid digit error

Postby admin » Wed Jul 18, 2018 10:40 am

this looks as if your POTCAR file is corrupted
admin
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