# Error in input file

**URL:** <https://discourse.abinit.org/t/error-in-input-file/115>\
**Category:** Ground state\
**Created:** [May 6, 2021, 11:36pm UTC](https://discourse.abinit.org/t/error-in-input-file/115 "2021-05-06T23:36:02Z")\
**Posts on this page:** 2\
**Page:** 1

<div class="post-metadata">

**Author:** ![shamkhali](https://discourse.abinit.org/letter_avatar_proxy/v4/letter/s/5f9b8f/32.png) [@shamkhali](https://discourse.abinit.org/u/shamkhali)\
**Post date:** [May 6, 2021, 11:36pm UTC](https://discourse.abinit.org/t/error-in-input-file/115/1 "2021-05-06T23:36:02Z")

</div>

Dear All  
I’m trying to run this input file:  
ndtset 5  
enunit 2  
prtvol 1  
ecut 90  
nband 250  
occopt 3  
tsmear 0.01  
ixc 11  
nstep 500

# SC run

iscf1 3  
toldfe1 1.d-10  
nqpt1 0  
prtden1 1

# NSC run

iscf2 -2  
tolwfr2 1.0d-22  
nqpt2 0  
getden2 1  
getwfk2 1

# ddk response function

iscf3 -3  
tolwfr3 1.0d-22  
nqpt3 1  
qpt3 0.0d0 0.0d0 0.0d0  
rfdir3 1 0 0  
rfelfd3 2  
getwfk3 2

# ddk response function

iscf4 -3  
tolwfr4 1.0d-22  
nqpt4 1  
qpt4 0.0d0 0.0d0 0.0d0  
rfdir4 0 1 0  
rfelfd4 2  
getwfk4 2

# ddk response function

iscf5 -3  
tolwfr5 1.0d-22  
nqpt5 1  
qpt5 0.0d0 0.0d0 0.0d0  
rfdir5 0 0 1  
rfelfd5 2  
getwfk5 2

# 

# - Definition of special k-points

#----------------------------------  
kptopt 0  
nkpt 25  
kpt 0.00000000000000 0.00000000000000 0.00000000000000  
0.14285714285714 -0.00000000000000 0.00000000000000  
0.28571428571429 -0.00000000000000 0.00000000000000  
0.42857142857143 -0.00000000000000 0.00000000000000  
0.00000000000000 0.14285714285714 0.00000000000000  
0.14285714285714 0.14285714285714 0.00000000000000  
0.28571428571429 0.14285714285714 0.00000000000000  
0.42857142857143 0.14285714285714 0.00000000000000  
-0.42857142857143 0.14285714285714 0.00000000000000  
-0.28571428571429 0.14285714285714 0.00000000000000  
-0.14285714285714 0.14285714285714 0.00000000000000  
0.00000000000000 0.28571428571429 0.00000000000000  
0.14285714285714 0.28571428571429 0.00000000000000  
0.28571428571429 0.28571428571429 0.00000000000000  
0.42857142857143 0.28571428571429 0.00000000000000  
-0.42857142857143 0.28571428571429 0.00000000000000  
-0.28571428571429 0.28571428571429 0.00000000000000  
-0.14285714285714 0.28571428571429 0.00000000000000  
0.00000000000000 0.42857142857143 0.00000000000000  
0.14285714285714 0.42857142857143 0.00000000000000  
0.28571428571429 0.42857142857143 0.00000000000000  
0.42857142857143 0.42857142857143 0.00000000000000  
-0.42857142857143 0.42857142857143 0.00000000000000  
-0.28571428571429 0.42857142857143 0.00000000000000  
-0.14285714285714 0.42857142857143 0.00000000000000  
wtk 1.0

# 

# - Definition of the unit cell

#--------------------------------  
acell 3_1.000000000  
rprim 23.2947772049565 0.0000000000E+00 0.0000000000E+00  
-11.6473886025730 20.1738688349917 0.0000000000E+00  
0.0000000000E+00 0.0000000000E+00 56.8165288872996  
chkprim 0  
natom 63  
ntypat 2  
typat 50_1 13\*2  
znucl 6 28  
xred 0.0001815883952367 0.9940498980883972 0.3035000824418920  
0.1332569213071955 0.0603397383968219 0.3032757213248253  
0.1999302197333601 0.9938125334794227 0.3041784680470943  
0.4001705733715105 0.9939359224986858 0.3051436587085763  
0.6002596660435043 0.9939782598961201 0.3045486097372282  
0.8002861295756976 0.9941347029114540 0.3034490394331601  
0.3331302053924192 0.0601480338587916 0.3044582955816717  
0.5335976675521880 0.0605006716482434 0.3049015996955987  
0.7334615931310214 0.0606579732837583 0.3036020760581053  
0.9334053946853529 0.0605514521370587 0.3030593751297369  
0.9996757648086712 0.1936522376427000 0.3023532325916456  
0.0001193416246170 0.3937447392523228 0.3023049747586146  
0.0007615538306982 0.5939846622114567 0.3028443623486581  
0.0006368349293459 0.7942412145180093 0.3038011299041922  
0.1325804127516260 0.2601531442806355 0.3019577230691032  
0.1330110954812923 0.4604553428947274 0.3027922149957405  
0.1338784339292216 0.6608313868858676 0.3039689806723122  
0.1335261652220559 0.8606179081998547 0.3043991692484261  
0.1994482288890009 0.1934017625259055 0.3023224307856172  
0.1979821435603551 0.3928645933015656 0.3023699499331962  
0.2001708556644206 0.5941028648805089 0.3040310425108942  
0.2002903536168763 0.7940266299826833 0.3047952169577882  
0.3990391475373805 0.1929040821093906 0.3038082136855237  
0.3991640730955401 0.3930330759600237 0.3027738991439122  
0.3998495569303195 0.5944038009008695 0.3056667448432011  
0.4000238996844989 0.7941391342911789 0.3055380681348924  
0.6006810187456059 0.1933346777611745 0.3042440160436216  
0.6017828101096597 0.3939202627168913 0.3014573166159651  
0.6012311035520642 0.5950070700112366 0.3033384893644174  
0.6005777305282323 0.7950261106688674 0.3043867353942846  
0.8000880763049310 0.1937640747245247 0.3027459739387237  
0.8010198464890774 0.3938894831921556 0.3014489186897891  
0.8021553237370239 0.5938914601235085 0.3021169763349903  
0.8012754423898871 0.7953826950442393 0.3044071502874224  
0.3318760823080369 0.2588202784599626 0.3025567343384953  
0.3317154234878310 0.4598283721880005 0.3031528018322990  
0.3329077001525098 0.6612830880500938 0.3054279500506543  
0.3335367776568712 0.8608708832889392 0.3053582050338243  
0.5333902049722804 0.2598313567567149 0.3047434250662758  
0.5336481688892040 0.4597850618710831 0.3019669007976021  
0.5340064288864397 0.6619518479243529 0.3045152924581101  
0.5335620835271920 0.8608339538247139 0.3049375978399086  
0.7335800030031204 0.2602327882412527 0.3025471562571121  
0.7360942002799230 0.4612049726752541 0.3008921129628195  
0.7354133086991063 0.6614352071417759 0.3039630040115903  
0.7339517485649862 0.8614041674146207 0.3038440954001340  
0.9333695908156592 0.2604849047113143 0.3022693801913764  
0.9339889243843146 0.4606825628983313 0.3021076583737072  
0.9346540292167216 0.6608909747314330 0.3028929258764925  
0.9341744656752918 0.8611532944260772 0.3040259181217212  
0.5311651690598270 0.4900389016443816 0.4233022747246253  
0.6348956241489185 0.4839017579127559 0.4899444054300297  
0.7190184813555056 0.4942402810570731 0.4168746194983096  
0.7111254560205450 0.6711231340506797 0.4458456888327897  
0.5223611373690630 0.5933047259805834 0.4892032256949274  
0.4126055847435721 0.3700493202500645 0.4854540481423995  
0.5317765099658750 0.3069703038777499 0.4403544192793166  
0.5451245558022524 0.3714261891143852 0.3644465156067430  
0.6662900126810266 0.6258344006619266 0.3680074859509000  
0.5309166600357241 0.6755028344482228 0.4162121096832523  
0.3459718069915723 0.4875598753125306 0.4405430754557824  
0.3484326216187938 0.3065548045385896 0.4100123426740009  
0.4072504848961258 0.4977056448482804 0.3642433856995895

# 

# - Symmetries of the lattice

# 

nsym 1

# 

and I see this error massage in log file:  
— !WARNING  
src\_file: m\_parser.F90  
src\_line: 433  
message: |  
Attempted to read ndig: 5 floating point digits,  
from string(1:ndig): `ACELL` to initialize a floating variable.  
iomsg: list-directed I/O syntax error, unit -5, file Internal List-Directed Read

what is the problem?

---

<div class="post-metadata">

**Author:** ![shamkhali](https://discourse.abinit.org/letter_avatar_proxy/v4/letter/s/5f9b8f/32.png) [@shamkhali](https://discourse.abinit.org/u/shamkhali)\
**Post date:** [May 7, 2021, 2:33pm UTC](https://discourse.abinit.org/t/error-in-input-file/115/2 "2021-05-07T14:33:19Z")

</div>

Thanks I found the error. wtk input is wrong.