From 5d9e50927bb88aac6e897f86ed1cc2929af9e031 Mon Sep 17 00:00:00 2001 From: Robin Date: Mon, 23 Sep 2019 18:31:11 +0200 Subject: [PATCH] Correct format in fixed format. --- tests/tests/Bi2Te3/files/inp | 2 +- tests/tests/Bi2Te3/files/inp2 | 2 +- tests/tests/CuBand/files/inp | 2 +- tests/tests/CuBulk/files/inp | 2 +- tests/tests/CuBulk/files/inp2 | 2 +- tests/tests/CuDOS/files/inp | 2 +- tests/tests/Cwann/files/inp | 2 +- tests/tests/Fe-Atom/files/inp | 2 +- tests/tests/Fe_1l/files/inp | 2 +- tests/tests/Fe_1l_SOC/files/inp | 2 +- tests/tests/Fe_1l_SOC/files/inp2 | 2 +- tests/tests/Fe_bct/files/inp | 2 +- tests/tests/Fe_bct/files/inp2 | 2 +- tests/tests/Fe_bct_LO/files/inp | 2 +- tests/tests/Fe_bct_SOC/files/inp | 2 +- tests/tests/Fe_fcc/files/inp | 2 +- tests/tests/Fe_fcc/files/inp2 | 2 +- tests/tests/PTO-SOC/files/inf | 2 +- tests/tests/PTO-SOC/files/inp | 2 +- tests/tests/PTO-SOC/files/inp2 | 2 +- tests/tests/PTO-SOC/files/out | 2 +- tests/tests/PTO/files/inf | 2 +- tests/tests/PTO/files/inp | 2 +- tests/tests/PTO/files/out | 2 +- tests/tests/PTO_ldau/files/inf | 2 +- tests/tests/PTO_ldau/files/inp | 2 +- tests/tests/PTO_ldau/files/inp_lda | 2 +- tests/tests/PTO_ldau/files/out | 2 +- tests/tests/Si_film/files/inp | 2 +- tests/tests/Si_film/files/inp_force | 2 +- tests/tests/TiO2eels/files/inp | 2 +- 31 files changed, 31 insertions(+), 31 deletions(-) diff --git a/tests/tests/Bi2Te3/files/inp b/tests/tests/Bi2Te3/files/inp index b1818a5e..ce7ddd5f 100644 --- a/tests/tests/Bi2Te3/files/inp +++ b/tests/tests/Bi2Te3/files/inp @@ -99,7 +99,7 @@ swsp=F 1.00 1.00 1.00 1.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 lflip=F 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 111 111 111 111 111 111 111 111 111 111 111 111 111 111 diff --git a/tests/tests/Bi2Te3/files/inp2 b/tests/tests/Bi2Te3/files/inp2 index 94264cf6..cef128dd 100644 --- a/tests/tests/Bi2Te3/files/inp2 +++ b/tests/tests/Bi2Te3/files/inp2 @@ -99,7 +99,7 @@ swsp=F 1.00 1.00 1.00 1.00 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 lflip=F 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 111 111 111 111 111 111 111 111 111 111 111 111 111 111 diff --git a/tests/tests/CuBand/files/inp b/tests/tests/CuBand/files/inp index 705362b9..9f617769 100644 --- a/tests/tests/CuBand/files/inp +++ b/tests/tests/CuBand/files/inp @@ -34,7 +34,7 @@ swsp=F 1.00 -0.50 lflip=F 1 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=t +iplot=00000,score=F,plpot=F,band=t 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 111 diff --git a/tests/tests/CuBulk/files/inp b/tests/tests/CuBulk/files/inp index 1bd46139..d77fb4df 100644 --- a/tests/tests/CuBulk/files/inp +++ b/tests/tests/CuBulk/files/inp @@ -34,7 +34,7 @@ swsp=F 1.00 -0.50 lflip=F 1 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 111 diff --git a/tests/tests/CuBulk/files/inp2 b/tests/tests/CuBulk/files/inp2 index 8d888737..9abb5167 100644 --- a/tests/tests/CuBulk/files/inp2 +++ b/tests/tests/CuBulk/files/inp2 @@ -34,7 +34,7 @@ swsp=F 1.00 -0.50 lflip=F 1 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 111 diff --git a/tests/tests/CuDOS/files/inp b/tests/tests/CuDOS/files/inp index 1ff4c1ef..d4341f90 100644 --- a/tests/tests/CuDOS/files/inp +++ b/tests/tests/CuDOS/files/inp @@ -34,7 +34,7 @@ swsp=F 1.00 -0.50 lflip=F 1 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 111 diff --git a/tests/tests/Cwann/files/inp b/tests/tests/Cwann/files/inp index 9b2ccc2c..5d9a54af 100644 --- a/tests/tests/Cwann/files/inp +++ b/tests/tests/Cwann/files/inp @@ -31,7 +31,7 @@ swsp=F 0.00 lflip=F 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 001 diff --git a/tests/tests/Fe-Atom/files/inp b/tests/tests/Fe-Atom/files/inp index b21e9b8b..16de86c4 100644 --- a/tests/tests/Fe-Atom/files/inp +++ b/tests/tests/Fe-Atom/files/inp @@ -29,7 +29,7 @@ swsp=F 2.20 lflip=F 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 diff --git a/tests/tests/Fe_1l/files/inp b/tests/tests/Fe_1l/files/inp index 0cf37bed..b74b0b50 100644 --- a/tests/tests/Fe_1l/files/inp +++ b/tests/tests/Fe_1l/files/inp @@ -29,7 +29,7 @@ swsp=F 2.20 lflip=F 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 diff --git a/tests/tests/Fe_1l_SOC/files/inp b/tests/tests/Fe_1l_SOC/files/inp index b70f39fc..4ca67ed9 100644 --- a/tests/tests/Fe_1l_SOC/files/inp +++ b/tests/tests/Fe_1l_SOC/files/inp @@ -29,7 +29,7 @@ swsp=F 2.20 lflip=F 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 diff --git a/tests/tests/Fe_1l_SOC/files/inp2 b/tests/tests/Fe_1l_SOC/files/inp2 index 4dc7eaca..32d37e30 100644 --- a/tests/tests/Fe_1l_SOC/files/inp2 +++ b/tests/tests/Fe_1l_SOC/files/inp2 @@ -29,7 +29,7 @@ swsp=F 2.20 lflip=F 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 diff --git a/tests/tests/Fe_bct/files/inp b/tests/tests/Fe_bct/files/inp index 330fbd62..01834dcc 100644 --- a/tests/tests/Fe_bct/files/inp +++ b/tests/tests/Fe_bct/files/inp @@ -34,7 +34,7 @@ swsp=F 2.20 2.20 lflip=F 1 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 111 diff --git a/tests/tests/Fe_bct/files/inp2 b/tests/tests/Fe_bct/files/inp2 index ec855117..3212fda1 100644 --- a/tests/tests/Fe_bct/files/inp2 +++ b/tests/tests/Fe_bct/files/inp2 @@ -34,7 +34,7 @@ swsp=F 2.20 2.20 lflip=F 1 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 111 diff --git a/tests/tests/Fe_bct_LO/files/inp b/tests/tests/Fe_bct_LO/files/inp index 5b6bc83f..270f9d9b 100644 --- a/tests/tests/Fe_bct_LO/files/inp +++ b/tests/tests/Fe_bct_LO/files/inp @@ -34,7 +34,7 @@ swsp=F 2.20 2.20 lflip=F 1 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 111 diff --git a/tests/tests/Fe_bct_SOC/files/inp b/tests/tests/Fe_bct_SOC/files/inp index ac373532..4472ed37 100644 --- a/tests/tests/Fe_bct_SOC/files/inp +++ b/tests/tests/Fe_bct_SOC/files/inp @@ -34,7 +34,7 @@ swsp=F 2.20 2.20 lflip=F 1 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 111 diff --git a/tests/tests/Fe_fcc/files/inp b/tests/tests/Fe_fcc/files/inp index a9382d8c..a689332a 100644 --- a/tests/tests/Fe_fcc/files/inp +++ b/tests/tests/Fe_fcc/files/inp @@ -30,7 +30,7 @@ swsp=F 2.20 lflip=F 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 diff --git a/tests/tests/Fe_fcc/files/inp2 b/tests/tests/Fe_fcc/files/inp2 index 929781c5..7f54f66f 100644 --- a/tests/tests/Fe_fcc/files/inp2 +++ b/tests/tests/Fe_fcc/files/inp2 @@ -30,7 +30,7 @@ swsp=F 2.20 lflip=F 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 diff --git a/tests/tests/PTO-SOC/files/inf b/tests/tests/PTO-SOC/files/inf index e49ab018..82ece51c 100644 --- a/tests/tests/PTO-SOC/files/inf +++ b/tests/tests/PTO-SOC/files/inf @@ -49,7 +49,7 @@ swsp=F 0.00 0.00 0.00 0.00 lflip=F 1 1 1 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 111 111 111 diff --git a/tests/tests/PTO-SOC/files/inp b/tests/tests/PTO-SOC/files/inp index e69c4287..773afde6 100644 --- a/tests/tests/PTO-SOC/files/inp +++ b/tests/tests/PTO-SOC/files/inp @@ -45,7 +45,7 @@ swsp=F 0.00 0.00 0.00 0.00 lflip=F 1 1 1 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 111 111 111 diff --git a/tests/tests/PTO-SOC/files/inp2 b/tests/tests/PTO-SOC/files/inp2 index 5eaeb4b8..8e164a29 100644 --- a/tests/tests/PTO-SOC/files/inp2 +++ b/tests/tests/PTO-SOC/files/inp2 @@ -45,7 +45,7 @@ swsp=F 0.00 0.00 0.00 0.00 lflip=F 1 1 1 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 111 111 111 diff --git a/tests/tests/PTO-SOC/files/out b/tests/tests/PTO-SOC/files/out index 115948d1..e7c46b78 100644 --- a/tests/tests/PTO-SOC/files/out +++ b/tests/tests/PTO-SOC/files/out @@ -57,7 +57,7 @@ swsp=F 0.00 0.00 0.00 0.00 lflip=F 1 1 1 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 111 111 111 diff --git a/tests/tests/PTO/files/inf b/tests/tests/PTO/files/inf index 176a039b..136e508c 100644 --- a/tests/tests/PTO/files/inf +++ b/tests/tests/PTO/files/inf @@ -49,7 +49,7 @@ swsp=F 0.00 0.00 0.00 0.00 lflip=F 1 1 1 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 111 111 111 diff --git a/tests/tests/PTO/files/inp b/tests/tests/PTO/files/inp index ac19d1ae..22a935c4 100644 --- a/tests/tests/PTO/files/inp +++ b/tests/tests/PTO/files/inp @@ -45,7 +45,7 @@ swsp=F 0.00 0.00 0.00 0.00 lflip=F 1 1 1 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 111 111 111 diff --git a/tests/tests/PTO/files/out b/tests/tests/PTO/files/out index b66502ec..26955dab 100644 --- a/tests/tests/PTO/files/out +++ b/tests/tests/PTO/files/out @@ -59,7 +59,7 @@ swsp=F 0.00 0.00 0.00 0.00 lflip=F 1 1 1 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 111 111 111 diff --git a/tests/tests/PTO_ldau/files/inf b/tests/tests/PTO_ldau/files/inf index f88e3876..93c74c1a 100644 --- a/tests/tests/PTO_ldau/files/inf +++ b/tests/tests/PTO_ldau/files/inf @@ -49,7 +49,7 @@ swsp=F 0.00 0.00 0.00 0.00 lflip=F 1 1 1 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 111 111 111 diff --git a/tests/tests/PTO_ldau/files/inp b/tests/tests/PTO_ldau/files/inp index 798540fa..d97a5a8d 100644 --- a/tests/tests/PTO_ldau/files/inp +++ b/tests/tests/PTO_ldau/files/inp @@ -45,7 +45,7 @@ swsp=F 0.00 0.00 0.00 0.00 lflip=F 1 1 1 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 111 111 111 diff --git a/tests/tests/PTO_ldau/files/inp_lda b/tests/tests/PTO_ldau/files/inp_lda index 9d6cd9ea..d4bd1102 100644 --- a/tests/tests/PTO_ldau/files/inp_lda +++ b/tests/tests/PTO_ldau/files/inp_lda @@ -45,7 +45,7 @@ swsp=F 0.00 0.00 0.00 0.00 lflip=F 1 1 1 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 111 111 111 diff --git a/tests/tests/PTO_ldau/files/out b/tests/tests/PTO_ldau/files/out index e1085bae..a9511a2a 100644 --- a/tests/tests/PTO_ldau/files/out +++ b/tests/tests/PTO_ldau/files/out @@ -56,7 +56,7 @@ swsp=F 0.00 0.00 0.00 0.00 lflip=F 1 1 1 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 111 111 111 diff --git a/tests/tests/Si_film/files/inp b/tests/tests/Si_film/files/inp index 4a6b7a64..44b6016d 100644 --- a/tests/tests/Si_film/files/inp +++ b/tests/tests/Si_film/files/inp @@ -42,7 +42,7 @@ swsp=F 0.00 0.00 0.00 lflip=F 1 1 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 111 111 diff --git a/tests/tests/Si_film/files/inp_force b/tests/tests/Si_film/files/inp_force index 6373de24..8b23526d 100644 --- a/tests/tests/Si_film/files/inp_force +++ b/tests/tests/Si_film/files/inp_force @@ -42,7 +42,7 @@ swsp=F 0.00 0.00 0.00 lflip=F 1 1 1 vacdos=f,layers= 0,integ=F,star=f,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 111 111 diff --git a/tests/tests/TiO2eels/files/inp b/tests/tests/TiO2eels/files/inp index f18f91d7..cfb1b003 100644 --- a/tests/tests/TiO2eels/files/inp +++ b/tests/tests/TiO2eels/files/inp @@ -38,7 +38,7 @@ swsp=F 0.00 0.00 lflip=F 1 1 vacdos=F,layers= 0,integ=F,star=F,nstars= 0 0.00 0.00 0.00 0.00,nstm=0,tworkf= 0.000000 -iplot= 0,score=F,plpot=F,band=F +iplot=00000,score=F,plpot=F,band=F 0 0.000000 0.000000,nnne= 0,pallst=F xa= 2.00000,thetad= 330.00000,epsdisp= 0.00001,epsforce= 0.00001 relax 111 111 -- GitLab